1-[(4-苯基-4-哌啶基)羰基]吡咯烷单盐酸盐 | 83929-36-6

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 哌啶类
• 中文名称: 1-[(4-苯基-4-哌啶基)羰基]吡咯烷单盐酸盐
• 中文别名: 1,3,4-噻二唑-2-乙酰腈,5-甲氧基-
• 英文名称: (4-Phenyl-piperidin-4-yl)-pyrrolidin-1-yl-methanone hydrochloride
• 英文别名: 1-(4-phenyl-4-piperidinylcarbonyl)-pyrrolidine hydrochloride；1-((4-Phenyl-4-piperidyl)carbonyl)pyrrolidine monohydrochloride；(4-phenylpiperidin-4-yl)-pyrrolidin-1-ylmethanone;hydrochloride
• CAS: 83929-36-6
• 化学式: C₁₆H₂₂N₂O*ClH
• 分子量: 294.824
• InChiKey: FFGYTIDDYFLYCZ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.35
• 重原子数：
  20
• 可旋转键数：
  2
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.56
• 拓扑面积：
  32.3
• 氢给体数：
  2
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  titanium(IV) isopropylate 、 1-[(4-苯基-4-哌啶基)羰基]吡咯烷单盐酸盐 、 (+/-)-1-[3,5-bis(trifluoromethyl)benzoyl]-2-[[4-(trifluoromethyl)phenyl]methyl]-4-piperidinone 在 sodium cyanoborohydride 、 三乙胺 作用下， 以 四氢呋喃 、 乙醇 为溶剂， 以55%的产率得到cis-1-[3,5-bis(trifluoromethyl)-benzoyl]-4-[4-phenyl-4-(1-pyrrolidinylcarbonyl)-1-piperidinyl]-2-[[4-(trifluoromethyl)-phenyl]methyl]-piperidine
  参考文献：
  名称：

  US6169097

  摘要：

  公开号：

文献信息

• 1-(1,2-disubstituted pipeidinyl)-4-substituted piperidine derivatives
  申请人：Janssen Pharmaceutica N.V.

  公开号：US06346540B1

  公开（公告）日：2002-02-12

  The present invention concerns compounds of formula the N-oxide forms, the pharmaceutically acceptable addition salts and stereochemically isomeric forms thereof, wherein n is 0, 1 or 2; m is 1 or 2, provided that if m is 2, then n is 1; p is 0, 1 or 2; ═Q is ═O or ═NR3; X is a covalent bond or a bivalent radical of formula —O—, —S—, —NR3—; R1 is Ar1; Ar1C1-6alkyl or di(Ar1)C1-6alkyl, wherein each C1-6alkyl group is optionally substituted with hydroxy, C1-4alkyloxy, oxo or a ketalized oxo substituent of formula —O—CH2—CH2—O— or —O—CH2—CH2—CH2—O—; R2 is Ar2; Ar2C1-6alkyl; Het or HetC1-6alkyl; R3 is hydrogen or C1-6alkyl; R4 is hydrogen; C1-4alkyl; C1-4alkyloxyC1-4alkyl; hydroxyC1-4alkyl; carboxyl; C1-4alkyloxycarbonyl or Ar3; R5 is hydrogen; hydroxy; Ar3; Ar3C1-6alkyloxy; di(Ar3)C1-6alkyloxy; Ar3C1-6alkylthio; di(Ar3)C1-6alkylthio; Ar3C1-6alkylsulfoxy; di(Ar3)C1-6alkylsulfoxy; Ar3C1-6alkylsulfonyl; di(Ar3)C1-6alkylsulfonyl; —NR7R8; C1-6alkyl substituted with —NR7R8; or a radical of formula (a-1) or (a-2); R4 and R5 may also be taken together; R6 is hydroxy; C1-6alkyloxy; C1-6alkyl or Ar3C1-6alkyl; Ar1, Ar2 and Ar3 are phenyl or substituted phenyl; Ar2 is also naphtalenyl; and Het is an optionally substituted monocyclic or bicyclic heterocycle; as substance P antagonists; their preparation, compositions containing them and their use as a medicine.

  本发明涉及以下式的化合物 其中n为0、1或2；m为1或2，但如果m为2，则n为1；p为0、1或2；═Q为═O或═NR3；X为配位键或式的二价基团—O—、—S—、—NR3—；R1为Ar1；Ar1C1-6烷基或二(Ar1)C1-6烷基，其中每个C1-6烷基基团可选择地用羟基、C1-4烷氧基、氧代基或式的缩醛基团取代—O—CH2— —O—或—O— — — —O—；R2为Ar2；Ar2C1-6烷基；Het或HetC1-6烷基；R3为氢或C1-6烷基；R4为氢；C1-4烷基；C1-4烷氧基C1-4烷基；羟基C1-4烷基；羧基；C1-4烷氧羰基或Ar3；R5为氢；羟基；Ar3；Ar3C1-6烷氧基；二(Ar3)C1-6烷氧基；Ar3C1-6烷硫基；二(Ar3)C1-6烷硫基；Ar3C1-6烷磺氧基；二(Ar3)C1-6烷磺氧基；Ar3C1-6烷磺基；二(Ar3)C1-6烷磺基；—NR7R8；用—NR7R8取代的C1-6烷基；或式的基团(a-1)或(a-2)；R4和R5也可结合在一起；R6为羟基；C1-6烷氧基；C1-6烷基或Ar3C1-6烷基；Ar1、Ar2和Ar3为苯基或取代苯基；Ar2也为萘基；Het为可选择地取代的单环或双环杂环；作为P物质拮抗剂；它们的制备、含有它们的组合物以及它们作为药物的用途。
• US06169097A
  申请人：——

  公开号：——

  公开（公告）日：——
• DIPEPTIDES WHICH PROMOTE RELEASE OF GROWTH HORMONE
  申请人：PFIZER INC.

  公开号：EP0828754A1

  公开（公告）日：1998-03-18
• 1-(1,2-DISUBSTITUTED PIPERIDINYL)-4-SUBSTITUTED PIPERIDINE DERIVATIVES AS TACHYKININ RECEPTOR ANTAGONISTS
  申请人：JANSSEN PHARMACEUTICA N.V.

  公开号：EP0855999A1

  公开（公告）日：1998-08-05
• US5936089A
  申请人：——

  公开号：US5936089A

  公开（公告）日：1999-08-10