(3-Phenylpiperidin-1-yl)(quinoxalin-2-yl)methanone | 923599-95-5

• 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: (3-Phenylpiperidin-1-yl)(quinoxalin-2-yl)methanone
• 英文别名: (3-phenylpiperidin-1-yl)-quinoxalin-2-ylmethanone
• CAS: 923599-95-5
• 化学式: C₂₀H₁₉N₃O
• 分子量: 317.39
• InChiKey: GYEMIIQPUQQSKV-UHFFFAOYSA-N

物化性质

• 沸点：
  523.7±50.0 °C(Predicted)
• 密度：
  1.224±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.2
• 重原子数：
  24
• 可旋转键数：
  2
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.25
• 拓扑面积：
  46.1
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  3-苯基哌啶 、 2-喹喔啉羧酸 在 O-(1H-benzotriazol-1-yl)-N,N,N',N'-tetramethyluronium hexafluorophosphate 作用下， 以 N,N-二甲基乙酰胺 为溶剂， 反应 12.0h， 生成 (3-Phenylpiperidin-1-yl)(quinoxalin-2-yl)methanone
  参考文献：
  名称：

  Structure–activity relationships of novel non-competitive mGluR1 antagonists: A potential treatment for chronic pain

  摘要：

  A series of novel mGluR1 antagonists have been prepared. Incorporation of fragments derived from weak lead matter into a library led to enhanced potency in a new chemical series. A chemistry driven second library iteration, covering a greatly enhanced area of chemical space, maintained good potency and introduced metabolic stability. (c) 2006 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2006.10.015

文献信息

• Structure–activity relationships of novel non-competitive mGluR1 antagonists: A potential treatment for chronic pain
  作者：Dafydd R. Owen、Peter G. Dodd、Simon Gayton、Ben S. Greener、Gareth W. Harbottle、Simon J. Mantell、Graham N. Maw、Simon A. Osborne、Huw Rees、Tracy J. Ringer、Margarita Rodriguez-Lens、Graham F. Smith

  DOI：10.1016/j.bmcl.2006.10.015

  日期：2007.1

  A series of novel mGluR1 antagonists have been prepared. Incorporation of fragments derived from weak lead matter into a library led to enhanced potency in a new chemical series. A chemistry driven second library iteration, covering a greatly enhanced area of chemical space, maintained good potency and introduced metabolic stability. (c) 2006 Elsevier Ltd. All rights reserved.