cyclohexyl(4-(3-methoxyphenyl)piperidin-1-yl)methanone | 1276045-08-9

• 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: cyclohexyl(4-(3-methoxyphenyl)piperidin-1-yl)methanone
• 英文别名: Cyclohexyl-[4-(3-methoxyphenyl)piperidin-1-yl]methanone
• CAS: 1276045-08-9
• 化学式: C₁₉H₂₇NO₂
• 分子量: 301.429
• InChiKey: AYWMHXLYJPBHIM-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4
• 重原子数：
  22
• 可旋转键数：
  3
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.63
• 拓扑面积：
  29.5
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为产物：
  描述：

  4-(3-methoxy-phenyl)-3,6-dihydro-2H-pyridine-1-carboxylic acid tert-butyl ester 在 palladium 10% on activated carbon 、 氢气 、 三乙胺 作用下， 以 甲醇 、 二氯甲烷 、 乙酸乙酯 为溶剂， 20.0 ℃ 、1.38 MPa 条件下， 反应 1.0h， 生成 cyclohexyl(4-(3-methoxyphenyl)piperidin-1-yl)methanone
  参考文献：
  名称：

  Design and synthesis of 4-arylpiperidinyl amide and N-arylpiperdin-3-yl-cyclopropane carboxamide derivatives as novel melatonin receptor ligands

  摘要：

  Two series of 4-arylpiperidinyl amide and N-arylpiperdin-3-yl-cyclopropane carboxamide derivatives exhibiting diverse functionality at rat MT1 and MT2 receptors are reported. Compounds 11f and 18b (MT1/MT2 agonist) have human microsomal intrinsic clearance comparable to ramelteon. (C) 2010 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2010.12.068

文献信息

• Design and synthesis of 4-arylpiperidinyl amide and N-arylpiperdin-3-yl-cyclopropane carboxamide derivatives as novel melatonin receptor ligands
  作者：Guiying Li、Hao Zhou、Yu Jiang、Holger Keim、Sidney W. Topiol、Suresh B. Poda、Yong Ren、Gamini Chandrasena、Darío Doller

  DOI：10.1016/j.bmcl.2010.12.068

  日期：2011.2

  Two series of 4-arylpiperidinyl amide and N-arylpiperdin-3-yl-cyclopropane carboxamide derivatives exhibiting diverse functionality at rat MT1 and MT2 receptors are reported. Compounds 11f and 18b (MT1/MT2 agonist) have human microsomal intrinsic clearance comparable to ramelteon. (C) 2010 Elsevier Ltd. All rights reserved.