N-<((2-piperidinyl)methyl)>benzamide | 127722-73-0

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: N-<((2-piperidinyl)methyl)>benzamide
• 英文别名: N-(piperidin-2-ylmethyl)benzamide
• CAS: 127722-73-0
• 化学式: C₁₃H₁₈N₂O
• 分子量: 218.299
• InChiKey: CQDZPECTECONTE-UHFFFAOYSA-N

物化性质

• 熔点：
  100 °C(Solv: isopropyl ether (108-20-3))
• 沸点：
  422.8±18.0 °C(Predicted)
• 密度：
  1.048±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.7
• 重原子数：
  16
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.46
• 拓扑面积：
  41.1
• 氢给体数：
  2
• 氢受体数：
  2

反应信息

• 作为产物：
  描述：

  N-(吡啶-2-基甲基)苯甲酰胺 在 platinum(IV) oxide 氢气 作用下， 以 溶剂黄146 为溶剂， 以64%的产率得到N-<((2-piperidinyl)methyl)>benzamide
  参考文献：
  名称：

  Non-acidic anti-inflammatory compounds: activity of N-(4,6-dimethyl-2-pyridinyl) benzamides and derivatives

  摘要：

  DOI：

  10.1016/0223-5234(90)90159-z

文献信息

• [EN] NOVEL IMIDAZOPYRAZINE DERIVATIVES AS ANTIBACTERIALS<br/>[FR] NOUVEAUX DÉRIVÉS D'IMIDAZOPYRAZINE EN TANT QU'ANTIBACTÉRIENS
  申请人：HOFFMANN LA ROCHE

  公开号：WO2020126953A1

  公开（公告）日：2020-06-25

  The invention provides novel imidazopyrazine derivatives having general formula (I), wherein R1 to R11 are as described herein, and pharmaceutically acceptable salts thereof. Further provided are pharmaceutical compositions including the compounds, processes of manufacturing the compounds and methods of using the compounds as medicaments, in particular methods of using the compounds as antibiotics for the treatment or prevention of bacterial infections and related diseases.

  这项发明提供了具有通式（I）的新型咪唑吡嗪衍生物，其中R1至R11如本文所述，并其药学上可接受的盐。还提供了包括这些化合物的药物组合物、制造这些化合物的方法以及将这些化合物用作药物的方法，特别是将这些化合物用作抗生素治疗或预防细菌感染及相关疾病的方法。
• On DABAL-Me3 promoted formation of amides
  作者：Nathalie Dubois、Daniel Glynn、Thomas McInally、Barrie Rhodes、Simon Woodward、Derek J. Irvine、Chris Dodds

  DOI：10.1016/j.tet.2013.08.062

  日期：2013.11

  acids with primary and secondary amines under a variety of conditions (reflux, sealed tube, microwave) has been compared for a significant range of coupling partners of relevance to the preparation of amides of interest in pharmaceutical chemistry. Commercial microwave reactors promote the fastest couplings and allow the use of significantly sterically hindered amines (primary and secondary) and carboxylic

  的范围和DABAL-ME的效用3个甲基酯和游离羧酸与在各种条件下伯和仲胺（回流，密封管，微波）的联接器相比已经用于显著范围耦合相关的伙伴制备的医药化学中感兴趣的酰胺类化合物。商业微波反应器促进最快的偶联，并允许使用空间位阻显着的胺（伯胺和仲胺）和羧酸衍生物。已显示微波能量对反应系统的影响通常与热效应（过压和过热）有关。
• [EN] PIPERIDINES FOR USE AS OREXIN RECEPTOR ANTAGONISTS<br/>[FR] PIPERIDINES UTILES EN TANT QU'ANTAGONISTES DU RECEPTEUR D'OREXINE
  申请人：SMITHKLINE BEECHAM PLC

  公开号：WO2001096302A1

  公开（公告）日：2001-12-20

  Compounds of formula (I) wherein Y represents a group (CH2)n, wherein n represents 0, 1 or 2; R1 is phenyl, naphthyl, a mono or bicyclic heteroaryl group containing up to 3 heteroatoms selected from N, O and S; or a group NR3R4 wherein one of R?3 and R4¿ is hydrogen or optionally substituted (C¿1-4?)alkyl and the other is phenyl, naphthyl or a mono or bicyclic heteroaryl group containing up to 3 heteroatoms selected from N, O and S, or R?3 and R4¿ together with the N atom to which they are attached form a 5 to 7-membered cyclic amine which has an optionally fused phenyl ring; any of which R1 groups may be optionally substituted; R2 represents phenyl or a 5- or 6-membered hereroaryl group containing up to 3 heteroatoms selected from N, O and S, wherein the phenyl or heteroaryl group is substituted by R5, and further optional substituents; or R2 represents an optionally substituted bicyclic aromatic or bicyclic heteroaromatic group containing up to 3 heteroatoms selected from N, O and S; R5 represents an optionally substituted (C¿1-4?)alkoxy, halo, optionally substituted (C1-6)alkyl, optionally substituted phenyl, or an optionally substituted 5- or 6-membered heterocyclic ring containing up to 3 heteroatoms selected from N, O and S; or pharmaceutically acceptable salts thereof.

  化合物的公式(I)，其中Y代表(CH2)n的基团，其中n代表0、1或2；R1是苯基、萘基、含有最多3个异原子（选自N、O和S）的单环或双环杂环基团；或者是NR3R4的基团，其中R?3和R4¿中的一个是氢或可选取代的(C¿1-4?)烷基，另一个是苯基、萘基或含有最多3个异原子（选自N、O和S）的单环或双环杂环基团，或者R?3和R4¿连同它们所连接的N原子形成一个5至7成员环状胺，该胺具有一个可选的融合苯环；任何R1基团都可以选择性地取代；R2代表苯基或含有最多3个异原子（选自N、O和S）的5-或6成员杂环基团，其中苯基或杂环基团被R5和其他可选取代基团取代；或者R2代表一个可选取代的含有最多3个异原子（选自N、O和S）的双环芳香基团或双环杂芳基团；R5代表一个可选取代的(C¿1-4?)烷氧基、卤素、可选取代的(C1-6)烷基、可选取代的苯基或含有最多3个异原子（选自N、O和S）的5-或6成员杂环环，或其药学上可接受的盐。
• Piperdines for use as orexin receptor antagonists
  申请人：——

  公开号：US20030186964A1

  公开（公告）日：2003-10-02

  Compounds of formula (I) wherein Y represents a group (CH 2 ) n , wherein n represents 0, 1 or 2; R 1 is phenyl, naphthyl, a mono or bicyclic heteroaryl group containing up to 3 heteroatoms selected from N, O and S; or a group NR 3 R 4 wherein one of R 3 and R 4 is hydrogen or optionally substituted (C 1-4 )alkyl and the other is phenyl, naphthyl or a mono or bicyclic heteroaryl group containing up to 3 heteroatoms selected from N, O and S, or R 3 and R 4 together with the N atom to which they are attached form a 5 to 7-membered cyclic amine which has an optionally fused phenyl ring; any of which R 1 groups may be optionally substituted; R 2 represents phenyl or a 5- or 6-membered hereroaryl group containing up to 3 heteroatoms selected from N, O and S, wherein the phenyl or heteroaryl group is substituted by R 5 , and further optional substituents; or R 2 represents an optionally substituted bicyclic aromatic or bicyclic heteroaromatic group containing up to 3 heteroatoms selected from N, O and S; R 5 represents an optionally substituted (C 1-4 )alkoxy, halo, optionally substituted (C 1-6 )alkyl, optionally substituted phenyl, or an optionally substituted 5- or 6-membered heterocyclic ring containing up to 3 heteroatoms selected from N, O and S; or pharmaceutically acceptable salts thereof.

  式(I)的化合物，其中Y代表(CH2)n的基团，其中n代表0、1或2；R1是苯基、萘基、含有最多3个来自N、O和S的杂原子的单环或双环杂芳基基团；或者是NR3R4的基团，其中R3和R4中的一个是氢或者可选取代的(C1-4)烷基，另一个是苯基、萘基或含有最多3个来自N、O和S的杂原子的单环或双环杂芳基基团，或者R3和R4与它们所连接的N原子一起形成一个5-7环的环状胺，该环状胺具有可选的融合苯基环；其中任何一个R1基团都可以是可选的取代基；R2代表苯基或含有最多3个来自N、O和S的杂原子的5-或6-环杂芳基基团，其中苯基或杂芳基基团被R5和其他可选的取代基取代；或者R2代表一个可选的取代的双环芳香基或双环杂芳基基团，其中含有最多3个来自N、O和S的杂原子；R5代表一个可选的取代的(C1-4)烷氧基、卤素、可选的取代的(C1-6)烷基、可选的取代的苯基或含有最多3个来自N、O和S的杂原子的5-或6-环杂环基，或其药学上可接受的盐。
• HETEROCYCLIC COMPOUND
  申请人：Takeda Pharmaceutical Company Limited

  公开号：EP3342772A1

  公开（公告）日：2018-07-04

  The present invention provides a heterocyclic compound having a HDAC inhibitory action, and useful for the treatment of inflammatory disease and the like, and a medicament comprising the compound. The present invention relates to a compound represented by the formula (I): wherein each symbol is as defined in the specification, or a salt thereof.

  本发明提供了一种具有 HDAC 抑制作用、可用于治疗炎症等疾病的杂环化合物，以及一种包含该化合物的药物。 本发明涉及一种由式（I）代表的化合物： 其中各符号如说明书中所定义，或其盐。