(l)-1-piperazin-1-yl-2-piperidin-1-ylethanone | 926212-15-9

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 英文名称: (l)-1-piperazin-1-yl-2-piperidin-1-ylethanone
• 英文别名: Ethanone, 1-(1-piperazinyl)-2-(1-piperidinyl)-；1-piperazin-1-yl-2-piperidin-1-ylethanone
• CAS: 926212-15-9
• 化学式: C₁₁H₂₁N₃O
• mdl: MFCD09042579
• 分子量: 211.307
• InChiKey: KYTKTQOKXDCSJY-UHFFFAOYSA-N

物化性质

• 沸点：
  360.4±37.0 °C(Predicted)
• 密度：
  1.065±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  0
• 重原子数：
  15
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.91
• 拓扑面积：
  35.6
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  (1S,2R)-1-(3,4-dichlorophenyl)-2-hydroxymethylcyclopropanecarboxylic acid (4-fluorobenzyl)methylamide 、 (l)-1-piperazin-1-yl-2-piperidin-1-ylethanone 生成 (1S,2R)-1-(3,4-dichlorophenyl)-N-(4-fluorobenzyl)-N-methyl-2-((4-(2-(piperidin-1-yl)acetyl)piperazin-1-yl)methyl)cyclopropanecarboxamide
  参考文献：
  名称：

  Identification of a new series of non-peptidic NK3 receptor antagonists

  摘要：

  The identification and structure-activity relationships of 2-aminomethyl-1-aryl cyclopropane carboxamides as novel NK3 receptor antagonists are reported. The compound series was optimized to give analogues with low nanomolar binding to the NK3 receptor and brain exposure, leading to activity in vivo in the senktide-induced hypoactivity model in gerbils. (C) 2011 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2010.12.135

文献信息

• Indazole compounds
  申请人：Ericsson M. Anna

  公开号：US20070282101A1

  公开（公告）日：2007-12-06

  Novel compounds of Formula (I) or pharmaceutically acceptable salts, prodrugs and biologically active metabolites thereof of Formula (I) wherein the substituents are as defined herein, which are useful as therapeutic agents.

  本发明提供了化合物(I)或其药学上可接受的盐、前药和生物活性代谢物，其中取代基如定义所述，这些化合物可用作治疗剂。
• Indazole Compounds
  申请人：Ericson Anna M.

  公开号：US20120053345A1

  公开（公告）日：2012-03-01

  Novel compounds of Formula (I) or pharmaceutically acceptable salts, prodrugs and biologically active metabolites thereof of Formula (I) wherein the substituents are as defined herein, which are useful as therapeutic agents.

  本发明涉及化合物(I)或其药学上可接受的盐、前药和生物活性代谢物，其中取代基的定义如本文所述，这些化合物可用作治疗剂。
• Derivatives of dihydrodibenzocycloheptylidene-ethylamine
  申请人：SOCIEDAD ESPANOLA DE ESPECIALIDADES FARMACO-TERAPEUTICAS, S.A.

  公开号：EP0132764A2

  公开（公告）日：1985-02-13

  New compounds derived from diphenyl-methylene-ethylamine of the following structural formula I: as well as their pharmaceutically acceptable salts and other derivatives, including N-oxydes and quaternary ammonium salts, possessing properties for the treatment of various pathological conditions and pains; their method of prepara- tion; pharmaceutical compositions containing the said com- pounds; and the treatment of various pathological conditions and pains with the use of the said composition.

  以下结构式 I 的二苯基亚甲基乙胺衍生的新化合物及其药用盐和其他衍生物，包括 N-氧 化物和季铵盐，具有治疗各种病症和疼痛的特性；其制备方法；含有上述化合物的药用组合 物；以及使用上述组合物治疗各种病症和疼痛。
• US8008481B2
  申请人：——

  公开号：US8008481B2

  公开（公告）日：2011-08-30
• Identification of a new series of non-peptidic NK3 receptor antagonists
  作者：Karsten Juhl、Tore Hansen、Jan Kehler、Nikolay A. Khanzhin、Morten B. Nørgaard、Thomas Ruhland、Dorrit B. Larsen、Klaus G. Jensen、Björn Steiniger-Brach、Søren M. Nielsen、Klaus B. Simonsen

  DOI：10.1016/j.bmcl.2010.12.135

  日期：2011.3

  The identification and structure-activity relationships of 2-aminomethyl-1-aryl cyclopropane carboxamides as novel NK3 receptor antagonists are reported. The compound series was optimized to give analogues with low nanomolar binding to the NK3 receptor and brain exposure, leading to activity in vivo in the senktide-induced hypoactivity model in gerbils. (C) 2011 Elsevier Ltd. All rights reserved.