8-[2-(4-Benzyl-piperidin-1-yl)-acetyl]-1-(3,5-bis-trifluoromethyl-benzyl)-3-methyl-1,3,8-triaza-spiro[4.5]decane-2,4-dione

• 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: 8-[2-(4-Benzyl-piperidin-1-yl)-acetyl]-1-(3,5-bis-trifluoromethyl-benzyl)-3-methyl-1,3,8-triaza-spiro[4.5]decane-2,4-dione
• 英文别名: 8-[2-(4-Benzylpiperidin-1-yl)acetyl]-1-[[3,5-bis(trifluoromethyl)phenyl]methyl]-3-methyl-1,3,8-triazaspiro[4.5]decane-2,4-dione
• 化学式: C₃₁H₃₄F₆N₄O₃
• 分子量: 624.626
• InChiKey: BXGTWCLBVXIHEG-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.2
• 重原子数：
  44
• 可旋转键数：
  6
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.52
• 拓扑面积：
  64.2
• 氢给体数：
  0
• 氢受体数：
  10

反应信息

• 作为产物：
  描述：

  4-苄基哌啶 、 1-(3,5-Bis-trifluoromethyl-benzyl)-8-(2-bromo-acetyl)-3-methyl-1,3,8-triaza-spiro[4.5]decane-2,4-dione 反应 16.0h， 生成 8-[2-(4-Benzyl-piperidin-1-yl)-acetyl]-1-(3,5-bis-trifluoromethyl-benzyl)-3-methyl-1,3,8-triaza-spiro[4.5]decane-2,4-dione
  参考文献：
  名称：

  Parallel solution- and solid-Phase synthesis of spirohydantoin derivatives as neurokinin-1 receptor ligands

  摘要：

  The combination of the 3,5-bis(trifluoromethyl)phenyl group with a spirohydantoin motive as a central scaffold was the basis for the design of a combinatorial library targeted towards the neurokinin-1 receptor. A solution-and solid-phase procedure is described and binding affinities of representative compounds presented. (C) 2002 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(02)00488-2

文献信息

• Parallel solution- and solid-Phase synthesis of spirohydantoin derivatives as neurokinin-1 receptor ligands
  作者：Konrad H. Bleicher、Yves Wüthrich、Maxime De Boni、Sabine Kolczewski、Torsten Hoffmann、Andrew J. Sleight

  DOI：10.1016/s0960-894x(02)00488-2

  日期：2002.9

  The combination of the 3,5-bis(trifluoromethyl)phenyl group with a spirohydantoin motive as a central scaffold was the basis for the design of a combinatorial library targeted towards the neurokinin-1 receptor. A solution-and solid-phase procedure is described and binding affinities of representative compounds presented. (C) 2002 Elsevier Science Ltd. All rights reserved.