piperidone monohydrate hydrochloride

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 哌啶类
• 英文名称: piperidone monohydrate hydrochloride
• 英文别名: piperidone hydrochloride hydrate；monohydrate piperidone hydrochloride；piperidone hydrochloride monohydrate；piperidone hydrate hydrochloride；piperidin-2-one;hydrate;hydrochloride
• 化学式: C₅H₉NO*ClH*H₂O
• 分子量: 153.609
• InChiKey: XIMLAVRHZBUYBE-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -0.12
• 重原子数：
  9
• 可旋转键数：
  0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.8
• 拓扑面积：
  30.1
• 氢给体数：
  3
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  piperidone monohydrate hydrochloride 、 二碳酸二叔丁酯 在 potassium hydrogensulfate 、 N,N-二异丙基乙胺 作用下， 以 甲醇 为溶剂， 以93%的产率得到1-Boc-2-哌啶酮
  参考文献：
  名称：

  3-alkyl-3-phenyl-piperidines

  摘要：

  该项发明的小型非肽类物质是速激肽拮抗剂，其化学式为##STR1## 或其药学上可接受的盐，其中：R.sub.1是直链或支链烷基，其碳原子数为5到15个，芳基或杂芳基; R.sub.2是氢，羟基，氨基或硫醇; R.sub.3是芳基，芳基磺酰甲基或饱和或不饱和的杂环; R.sub.4是1到4个基团，每个基团独立选择自卤素，烷基，羟基和烷氧基; n是2到6的整数; (CH.sub.2).sub.n基团的碳原子可以被氧，氮或硫取代。这些化合物具有高度选择性和功能性NK.sub.3拮抗剂的特点，预计可用于治疗疼痛，抑郁症，焦虑症，惊恐症，精神分裂症，神经痛，成瘾障碍，炎症性疾病，胃肠疾病，血管疾病和神经病理学疾病。

  公开号：

  US06040316A1

文献信息

• Antibacterial .beta.-lactam compounds
  申请人：Sumitomo Pharmaceuticals Company, Limited

  公开号：US04742052A1

  公开（公告）日：1988-05-03

  Novel .beta.-lactam compounds classified into penem compounds, a process for preparing the same and use of such .beta.-lactam compounds are disclosed. These .beta.-lactam compounds exhibit excellent antimicrobial activities useful as pharmaceuticals or they are important intermediates for the synthesis of compounds having antimicrobial activities.

  本发明公开了分类为单环β-内酰胺化合物的戊二烯化合物，其制备方法以及此类β-内酰胺化合物的用途。这些β-内酰胺化合物展现出卓越的抗菌活性，可用作药物，或者它们是合成具有抗菌活性的化合物的重要中间体。
• Substituted heterocycle fused gamma-carbolines
  申请人：Bristol-Myers Squibb Pharma Company

  公开号：US06548493B1

  公开（公告）日：2003-04-15

  The present invention is directed to certain novel compounds represented by structural Formula (I) or pharmaceutically acceptable salt forms thereof, wherein R1, R5, R6a, R6b, R7, R8, R9, X, b, k, m, and n, and the dashed lines are described herein. The invention is also concerned with pharmaceutical formulations comprising these novel compounds as active ingredients and the use of the novel compounds and their formulations in the treatment of certain disorders. The compounds of this invention are serotonin agonists and antagonists and are useful in the control or prevention of central nervous system disorders including obesity, anxiety, depression, psychosis, schizophrenia, sleep disorders, sexual disorders, migraine, conditions associated with cephalic pain, social phobias, and gastrointestinal disorders such as dysfunction of the gastrointestinal tract motility.

  本发明涉及由结构式（I）表示的某些新化合物或其药用可接受的盐形式，其中R1、R5、R6a、R6b、R7、R8、R9、X、b、k、m和n以及虚线在此处描述。本发明还涉及包含这些新化合物作为活性成分的药物配方，以及在治疗某些疾病中使用这些新化合物及其配方。本发明的化合物是5-羟色胺激动剂和拮抗剂，在控制或预防包括肥胖、焦虑、抑郁症、精神病、精神分裂症、睡眠障碍、性功能障碍、偏头痛、头痛相关疾病、社交恐惧症以及胃肠道疾病（如胃肠道运动功能障碍）等中枢神经系统疾病方面具有用处。
• Hydropyridine derivatives
  申请人：Ciba-Geigy Corporation

  公开号：US04833169A1

  公开（公告）日：1989-05-23

  Hydropyridine derivatives of the formula ##STR1## in which R.sub.1 represents carboxy, lower alkoxycarbonyl, carbamoyl, N-lower alkylcarbamoyl or N,N-di-lower alkylcarbamoyl, R.sub.2 represents hydrogen, an optionally etherified or acylated hydroxy group or an optionally acylated amino group, and R.sub.3 represents a radical of the formula R-- (Ia), R--alk.sub.1 -- (Ib) or R'.dbd.alk.sub.2 -- (Ic) in which R represents a benzocycloalkenyl radical having a total of from 8 to 12 ring carbon atoms which is bonded via a saturated carbon atom and which is unsubstituted or is mono- or poly-substituted in the benzo moiety by hydroxy, lower alkoxy, lower alkanoyloxy, halogen, lower alkyl and/or by trifluoromethyl, and/or subsituted in the .alpha.-position by lower alkyl, and R' represents a benzocycloalkylidene radical having a total of from 8 to 12 ring carbon atoms which is unsubstituted or is mono- or poly-substituted in the benzo moiety by hydroxy, lower alkoxy, lower alkanoyloxy, halogen, lower alkyl and/or by trifluoromethyl, and alk.sub.1 represents lower alkylene or lower alkylidene and alk.sub.2 represents lower alkyl-.omega.-ylidene, wherein the dotted line is intended to show that there may be a single bond or especially a double bond, and 3-aminopropionic acid compounds of the formula R.sub.3 --NH--CH.sub.2 CH.sub.2 --R.sub.1 (IVc) in which R.sub.1 and R.sub.3 have the meanings given above, and their pharmaceutically acceptable salts, have nootropic properties and can be used as nootropic active ingredients in medicaments. They are manufactured by methods known per se.

  公式为##STR1##的吡啶衍生物，其中R.sub.1代表羧基、较低的烷氧羰基、氨基甲酰、N-较低烷基氨基甲酰或N,N-二较低烷基氨基甲酰，R.sub.2代表氢、可选择乙酰化或酰化的羟基或可选择酰化的氨基，R.sub.3代表公式R--（Ia）、R--alk.sub.1 --（Ib）或R'.dbd.alk.sub.2 --（Ic）的基团，其中R代表具有总共8至12个环碳原子的苯并环己烯基基团，通过饱和碳原子连接，并且在苯环上未被取代或者在苯基上被羟基、较低烷氧基、较低烷酰氧基、卤素、较低烷基和/或三氟甲基单取代或多取代，或者在α-位置被较低烷基取代；R'代表具有总共8至12个环碳原子的苯并环己基亚甲基基团，未被取代或者在苯基上被羟基、较低烷氧基、较低烷酰氧基、卤素、较低烷基和/或三氟甲基单取代或多取代，alk.sub.1代表较低烷基或较低烷基亚甲基，alk.sub.2代表较低烷基-ω-亚甲基，其中虚线表示可能存在单键或特别是双键，以及公式为R.sub.3 --NH--CH.sub.2 CH.sub.2 --R.sub.1（IVc）的3-氨基丙酸化合物，其中R.sub.1和R.sub.3具有上述给定的含义，及其药学上可接受的盐，具有智力增强作用，可用作药物中的智力增强活性成分。它们通过已知方法制造。
• Substituted pyridoindoles as serotonin agonists and antagonists
  申请人：——

  公开号：US20020173503A1

  公开（公告）日：2002-11-21

  The present invention is directed to certain novel compounds represented by structural Formula (I) 1 or pharmaceutically acceptable salt forms thereof, wherein R 1 , R 5 , R 6 , R 7 , R 8 , R 9 , X, b, k, and n, and the dashed lines are described herein. The invention is also concerned with pharmaceutical formulations comprising these novel compounds as active ingredients and the use of the novel compounds and their formulations in the treatment of certain disorders. The compounds of this invention are serotonin agonists and antagonists and are useful in the control or prevention of central nervous system disorders including obesity, anxiety, depression, psychosis, schizophrenia, sleep disorders, sexual disorders, migraine, conditions associated with cephalic pain, social phobias, and gastrointestinal disorders such as dysfunction of the gastrointestinal tract motility.

  本发明涉及由结构式（I）1表示的某些新化合物或其药用盐形式，其中R1、R5、R6、R7、R8、R9、X、b、k和n，以及虚线如本文所述。本发明还涉及包含这些新化合物作为活性成分的药物配方，以及利用这些新化合物及其配方治疗某些疾病。本发明的化合物是5-羟色胺激动剂和拮抗剂，可用于控制或预防包括肥胖、焦虑、抑郁、精神病、精神分裂症、睡眠障碍、性功能障碍、偏头痛、头痛相关疾病、社交恐惧症以及胃肠道疾病等中枢神经系统疾病。
• PHARMACEUTICAL COMPOUNDS
  申请人：——

  公开号：US20010053783A1

  公开（公告）日：2001-12-20

  A pharmaceutical compound of the formula 1 in which R 1 is hydrogen, C 1-4 alkyl, C 1-4 alkoxy or halo, and R 2 is hydrogen, C 1-4 alkyl or C 1-4 alkoxy; or a salt thereof.

  一个化学配方的药物化合物，其中R1是氢、C1-4烷基、C1-4烷氧基或卤素，R2是氢、C1-4烷基或C1-4烷氧基；或其盐。