1-(4-tert-Butyl-phenyl)-piperidine-4-carboxylic acid (3-oxo-3,4-dihydro-2H-benzo[1,4]oxazin-6-yl)-amide | 888038-24-2

• 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: 1-(4-tert-Butyl-phenyl)-piperidine-4-carboxylic acid (3-oxo-3,4-dihydro-2H-benzo[1,4]oxazin-6-yl)-amide
• 英文别名: 1-(1-tert-butyl-phenyl)-piperidine-4-carboxylic acid (3-oxo-3,4-dihydro-2H-benzo[1,4]oxazin-6-yl)-amide；1-(4-tert-butylphenyl)-N-(3-oxo-3,4-dihydro-2H-benzo[b][1,4]oxazin-6-yl)piperidine-4-carboxamide；1-(4-tert-butylphenyl)-N-(3-oxo-4H-1,4-benzoxazin-6-yl)piperidine-4-carboxamide
• CAS: 888038-24-2
• 化学式: C₂₄H₂₉N₃O₃
• 分子量: 407.513
• InChiKey: NYSSYBPYKWNMSG-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4
• 重原子数：
  30
• 可旋转键数：
  4
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.42
• 拓扑面积：
  70.7
• 氢给体数：
  2
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  1-(4-(tert-butyl)phenyl)piperidine-4-carboxylic acid 、 6-氨基-2H-1,4-苯并吗啉-3(4H)-酮 生成 1-(4-tert-Butyl-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