1-(1,1-Dimethylethyl) 4-(2-cyclohexen-1-yl)-1,4-piperidinedicarboxylate | 363192-64-7

• 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-(1,1-Dimethylethyl) 4-(2-cyclohexen-1-yl)-1,4-piperidinedicarboxylate
• 英文别名: 4-cyclohex-2-en-1-yl-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-4-carboxylic acid
• CAS: 363192-64-7
• 化学式: C₁₇H₂₇NO₄
• 分子量: 309.406
• InChiKey: HTLBFAAKHUOONA-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3
• 重原子数：
  22
• 可旋转键数：
  4
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.76
• 拓扑面积：
  66.8
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  在 三甲基氯硅烷 、 lithium diisopropyl amide 作用下， 以 四氢呋喃 为溶剂， 生成 1-(1,1-Dimethylethyl) 4-(2-cyclohexen-1-yl)-1,4-piperidinedicarboxylate
  参考文献：
  名称：

  Melanocortin subtype 4 receptor agonists: Structure–activity relationships about the 4-alkyl piperidine core

  摘要：

  SAR about the piperidine core in a series of MC4R agonists is described. A number of alkyl substituents that furnish compounds with good affinity and functional potency are reported. (c) 2006 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2006.11.084

文献信息

• BRIDGED PIPERIDINE DERIVATIVES AS MELANOCORTIN RECEPTOR AGONISTS
  申请人：Merck & Co., Inc.

  公开号：EP1411940B1

  公开（公告）日：2008-10-15
• Melanocortin subtype 4 receptor agonists: Structure–activity relationships about the 4-alkyl piperidine core
  作者：Iyassu K. Sebhat、Yingjie Lai、Khaled Barakat、Zhixiong Ye、Rui Tang、Rubana N. Kalyani、Aurawan Vongs、Tanya MacNeil、David H. Weinberg、M. Angeles Cabello、Marta Maroto、Ana Teran、Tung M. Fong、Lex H.T. Van der Ploeg、Arthur A. Patchett、Ravi P. Nargund

  DOI：10.1016/j.bmcl.2006.11.084

  日期：2007.10

  SAR about the piperidine core in a series of MC4R agonists is described. A number of alkyl substituents that furnish compounds with good affinity and functional potency are reported. (c) 2006 Elsevier Ltd. All rights reserved.