5-[4-[1-[4-(trifluoromethyl)phenyl]piperidin-4-yl]butanoyl]-1H-pyridin-2-one | 948020-56-2

• 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: 5-[4-[1-[4-(trifluoromethyl)phenyl]piperidin-4-yl]butanoyl]-1H-pyridin-2-one
• CAS: 948020-56-2
• 化学式: C₂₁H₂₃F₃N₂O₂
• 分子量: 392.421
• InChiKey: VRHASJNGMLBYMO-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.9
• 重原子数：
  28
• 可旋转键数：
  6
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.43
• 拓扑面积：
  49.4
• 氢给体数：
  1
• 氢受体数：
  6

反应信息

• 作为产物：
  描述：

  在 三氟乙酸 、 水 、 碳酸氢钠 作用下， 以 氯仿 为溶剂， 反应 1.5h， 以82%的产率得到5-[4-[1-[4-(trifluoromethyl)phenyl]piperidin-4-yl]butanoyl]-1H-pyridin-2-one
  参考文献：
  名称：

  EP1988077

  摘要：

  公开号：

文献信息

• NITROGEN-CONTAINING HETEROCYCLE DERIVATIVES SUBSTITUTED WITH CYCLIC GROUP
  申请人：Masui Moriyasu

  公开号：US20090062261A1

  公开（公告）日：2009-03-05

  It was found out that the nitrogen-containing heterocyclic derivative represented by the formula (I) specifically binds to a receptor of NR1/NR2B, and is used as a NR2B receptor antagonist. A compound represented by: wherein Z is N or CR 1 , A 1 is a nitrogen-containing aromatic monocyclic group which is optionally substituted, a nitrogen-containing aromatic fused cyclic group which is optionally substituted etc., A 2 is an aromatic hydrocarbon cyclic group or an aromatic heterocyclic group, each optionally having a substituent, R 1 , R 2 , R a , R b , R c and R d are each independently hydrogen, hydroxy, etc., w is 2 or 3, t is 1 or 2, X is —(CR 3 R 4 )m-, —CO(CR 3 R 4 )n-, —CONR 5 (CR 3 R 4 )n- etc., m is an integer of 1 to 4, n is an integer of 0 to 4, R 3 and R 4 are each independently hydrogen, halogen, hydroxy etc., and R 5 is hydrogen or lower alkyl, or a pharmaceutically acceptable salt, or a solvate thereof.
• US7935706B2
  申请人：——

  公开号：US7935706B2

  公开（公告）日：2011-05-03
• EP1988077
  申请人：——

  公开号：——

  公开（公告）日：——