N-(1-苄基哌啶-4-基)-N-苯基苯甲酰胺 | 95869-86-6

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 中文名称: N-(1-苄基哌啶-4-基)-N-苯基苯甲酰胺
• 英文名称: N-(1-benzyl-piperidin-4-yl)-N-phenyl-benzamide
• 英文别名: N-(1-Benzylpiperidin-4-yl)-N-phenylbenzamide
• CAS: 95869-86-6
• 化学式: C₂₅H₂₆N₂O
• 分子量: 370.494
• InChiKey: TVPYSIMEYHFHLN-UHFFFAOYSA-N

物化性质

• 沸点：
  517.4±50.0 °C(Predicted)
• 密度：
  1.162±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  5
• 重原子数：
  28
• 可旋转键数：
  5
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.24
• 拓扑面积：
  23.6
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为产物：
  描述：

  N-苄基哌啶酮 在 sodium tetrahydroborate 、 四氯化钛 、 potassium carbonate 作用下， 以 甲醇 、 二氯甲烷 、 氯仿 为溶剂， 反应 20.0h， 生成 N-(1-苄基哌啶-4-基)-N-苯基苯甲酰胺
  参考文献：
  名称：

  A new series of M3 muscarinic antagonists based on the 4-amino-piperidine scaffold

  摘要：

  A series of 4-amino-piperidine containing molecules have been synthesized and structure-affinity relationship toward the M3-muscarinic receptor has been investigated. Chemical modulations provided molecules with K-i for the human M3-R up to 1 nM with variable selectivity (3- to 40-fold) over the human M2-R. Compounds 2 (pA(2) = 8.3, 8.6) demonstrates in vitro on guinea pig bladder and ileal strips potent anticholinergic properties and tissue selectivity. (C) 2002 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(02)00487-0

文献信息

• A new series of M3 muscarinic antagonists based on the 4-amino-piperidine scaffold
  作者：O Diouf、S Gadeau、F Chellé、M Gelbcke、P Talaga、B Christophe、M Gillard、R Massingham、M Guyaux

  DOI：10.1016/s0960-894x(02)00487-0

  日期：2002.9

  A series of 4-amino-piperidine containing molecules have been synthesized and structure-affinity relationship toward the M3-muscarinic receptor has been investigated. Chemical modulations provided molecules with K-i for the human M3-R up to 1 nM with variable selectivity (3- to 40-fold) over the human M2-R. Compounds 2 (pA(2) = 8.3, 8.6) demonstrates in vitro on guinea pig bladder and ileal strips potent anticholinergic properties and tissue selectivity. (C) 2002 Elsevier Science Ltd. All rights reserved.