1-(1-Allyl-piperidin-3-ylmethyl)-1-phenyl-3-(4-trifluoromethoxy-phenyl)-urea | 360555-46-0

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 1-(1-Allyl-piperidin-3-ylmethyl)-1-phenyl-3-(4-trifluoromethoxy-phenyl)-urea
• 英文别名: 1-Phenyl-1-[(1-prop-2-enylpiperidin-3-yl)methyl]-3-[4-(trifluoromethoxy)phenyl]urea
• CAS: 360555-46-0
• 化学式: C₂₃H₂₆F₃N₃O₂
• 分子量: 433.474
• InChiKey: LYIWYBVUISJLNH-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.3
• 重原子数：
  31
• 可旋转键数：
  7
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.35
• 拓扑面积：
  44.8
• 氢给体数：
  1
• 氢受体数：
  6

反应信息

• 作为产物：
  描述：

  N-(1-Boc-piperidin-3-yl-methyl)-N-phenyl-N'-ethylurea 、 3-溴丙烯 生成 1-(1-Allyl-piperidin-3-ylmethyl)-1-phenyl-3-(4-trifluoromethoxyphenyl-urea 、 1-(1-Allyl-piperidin-3-ylmethyl)-1-phenyl-3-(4-trifluoromethoxy-phenyl)-urea
  参考文献：
  名称：

  摘要：

  DOI：

文献信息

• 3-substituted piperidines comprising urea functionality, and methods of use thereof
  申请人：——

  公开号：US20010056090A1

  公开（公告）日：2001-12-27

  One aspect of the present invention relates to novel heterocyclic compounds comprising urea functionality. A second aspect of the present invention relates to the use of the novel heterocyclic compounds comprising urea functionality as ligands for various cellular receptors, including opioid receptors, other G-protein-coupled receptors and ion channels. An additional aspect of the present invention relates to the use of the novel heterocyclic compounds comprising urea functionality as analgesics.

  本发明的一个方面涉及包含脲功能团的新型杂环化合物。本发明的第二个方面涉及将包含脲功能团的新型杂环化合物用作各种细胞受体的配体，包括阿片受体、其他G蛋白偶联受体和离子通道。本发明的另一个方面涉及将包含脲功能团的新型杂环化合物用作镇痛剂。
• US6476050B2
  申请人：——

  公开号：US6476050B2

  公开（公告）日：2002-11-05
• US6946477B2
  申请人：——

  公开号：US6946477B2

  公开（公告）日：2005-09-20
• [EN] 3-SUBSTITUTED PIPERIDINES COMPRISING UREA FUNCTIONALITY, AND METHODS OF USE THEREOF<br/>[FR] PIPERIDINES 3-SUBSTITUEES COMPRENANT UN GROUPEMENT UREE ET PROCEDES D'UTILISATION DE CES DERNIERES
  申请人：SEPRACOR INC

  公开号：WO2001068604A2

  公开（公告）日：2001-09-20

  One aspect of the present invention relates to novel heterocyclic compounds comprising urea functionality. A second aspect of the present invention relates to the use of the novel heterocyclic compounds comprising urea functionality as ligands for various cellular receptors, including opioid receptors, other G-protein-coupled receptors and ion channels. An additional aspect of the present invention relates to the use of the novel heterocyclic compounds comprising urea functionality as analgesics.