2-(2-Oxo-[1,4']bipiperidinyl-3-yl)-acetamide | 226916-96-7

• 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: 2-(2-Oxo-[1,4']bipiperidinyl-3-yl)-acetamide
• 英文别名: 2-(2-Oxo-1-piperidin-4-ylpiperidin-3-yl)acetamide
• CAS: 226916-96-7
• 化学式: C₁₂H₂₁N₃O₂
• 分子量: 239.318
• InChiKey: JTZYRVNPINDCSQ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -0.8
• 重原子数：
  17
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.83
• 拓扑面积：
  75.4
• 氢给体数：
  2
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  2-(2-Oxo-[1,4']bipiperidinyl-3-yl)-acetamide 、 3,5-dichloro-N-[(2Z)-3-(3,4-dichlorophenyl)-2-methoxyimino-5-oxopentyl]-N-methylbenzamide 在 sodium cyanoborohydride 作用下， 以 2,2,2-三氟乙醇 为溶剂， 生成 N-[(2Z)-5-[4-[3-(2-amino-2-oxoethyl)-2-oxopiperidin-1-yl]piperidin-1-yl]-3-(3,4-dichlorophenyl)-2-methoxyiminopentyl]-3,5-dichloro-N-methylbenzamide
  参考文献：
  名称：

  Identification of a novel 1′-[5-((3,5-Dichlorobenzoyl)methylamino)-3-(3,4-dichlorophenyl)-4-(methoxyimino)pentyl]-2-oxo-(1,4′-bipiperidine) as a Dual NK1/NK2 antagonist

  摘要：

  A novel series of dual NK1/NK2 receptor antagonists, based on the 2-oxo-(1,4'-bipiperidine) template, has been prepared. Compound 10R is a potent dual NK1/NK2 antagonist and demonstrates excellent in vivo activity and good oral plasma levels in the dog. (C) 2002 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(02)00340-2
• 作为产物：
  描述：

  3-Carbamoylmethyl-2-oxo-[1,4']bipiperidinyl-1'-carboxylic acid tert-butyl ester 在 三氟乙酸 作用下， 以 二氯甲烷 为溶剂， 以100%的产率得到2-(2-Oxo-[1,4']bipiperidinyl-3-yl)-acetamide
  参考文献：
  名称：

  Identification of a novel 1′-[5-((3,5-Dichlorobenzoyl)methylamino)-3-(3,4-dichlorophenyl)-4-(methoxyimino)pentyl]-2-oxo-(1,4′-bipiperidine) as a Dual NK1/NK2 antagonist

  摘要：

  A novel series of dual NK1/NK2 receptor antagonists, based on the 2-oxo-(1,4'-bipiperidine) template, has been prepared. Compound 10R is a potent dual NK1/NK2 antagonist and demonstrates excellent in vivo activity and good oral plasma levels in the dog. (C) 2002 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(02)00340-2