1-(3-Fluoro-phenyl)-piperidine-4-carboxylic acid (3-oxo-3,4-dihydro-2H-benzo[1,4]oxazin-6-yl)-amide | 888038-25-3

• 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: 1-(3-Fluoro-phenyl)-piperidine-4-carboxylic acid (3-oxo-3,4-dihydro-2H-benzo[1,4]oxazin-6-yl)-amide
• 英文别名: 1-(3-fluorophenyl)-N-(3-oxo-3,4-dihydro-2H-benzo[b][1,4]oxazin-6-yl)piperidine-4-carboxamide；1-(3-fluorophenyl)-N-(3-oxo-4H-1,4-benzoxazin-6-yl)piperidine-4-carboxamide
• CAS: 888038-25-3
• 化学式: C₂₀H₂₀FN₃O₃
• 分子量: 369.396
• InChiKey: OQBVUVUZTRKEGV-UHFFFAOYSA-N

物化性质

• 沸点：
  650.8±55.0 °C(predicted)
• 密度：
  1.343±0.06 g/cm3(Temp: 20 °C; Press: 760 Torr)(predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.4
• 重原子数：
  27
• 可旋转键数：
  3
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.3
• 拓扑面积：
  70.7
• 氢给体数：
  2
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  1-(3-fluoro-phenyl)-piperidine-4-carboxylic acid 、 6-氨基-2H-1,4-苯并吗啉-3(4H)-酮 生成 1-(3-Fluoro-phenyl)-piperidine-4-carboxylic acid (3-oxo-3,4-dihydro-2H-benzo[1,4]oxazin-6-yl)-amide
  参考文献：
  名称：

  Discovery of piperidine carboxamide TRPV1 antagonists

  摘要：

  A series of piperidine carboxamides were developed as potent antagonists of the transient receptor potential vanilloid-1 (TRPV1), an emerging target for the treatment of pain. A focused library of polar head groups led to the identification of a benzoxazinone amide that afforded good potency in cell-based assays. Synthesis and a QSAR model will be presented. (C) 2008 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2008.07.035

文献信息

• Discovery of piperidine carboxamide TRPV1 antagonists
  作者：Wing S. Cheung、Raul R. Calvo、Brett A. Tounge、Sui-Po Zhang、Dennis R. Stone、Michael R. Brandt、Tasha Hutchinson、Christopher M. Flores、Mark R. Player

  DOI：10.1016/j.bmcl.2008.07.035

  日期：2008.8

  A series of piperidine carboxamides were developed as potent antagonists of the transient receptor potential vanilloid-1 (TRPV1), an emerging target for the treatment of pain. A focused library of polar head groups led to the identification of a benzoxazinone amide that afforded good potency in cell-based assays. Synthesis and a QSAR model will be presented. (C) 2008 Elsevier Ltd. All rights reserved.