1-(4-phenylpiperidin-4-yl)tetrahydropyrimidin-2(1H)-one | 1187777-07-6

• 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-phenylpiperidin-4-yl)tetrahydropyrimidin-2(1H)-one
• CAS: 1187777-07-6
• 化学式: C₁₅H₂₁N₃O
• 分子量: 259.351
• InChiKey: WHSZHZZFWNFBJD-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.68
• 重原子数：
  19.0
• 可旋转键数：
  2.0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.53
• 拓扑面积：
  44.37
• 氢给体数：
  2.0
• 氢受体数：
  2.0

反应信息

• 作为反应物：
  描述：

  Cyclohexanecarboxylic acid, 2,2-dimethyl-4-oxo-, (1R)- 、 1-(4-phenylpiperidin-4-yl)tetrahydropyrimidin-2(1H)-one 在 1-羟基苯并三唑 、 盐酸-N-乙基-Nˊ-(3-二甲氨基丙基)碳二亚胺 、 三乙胺 作用下， 以 氯仿 为溶剂， 反应 12.0h， 生成
  参考文献：
  名称：

  Design, synthesis and evaluation of a novel cyclohexanamine class of neuropeptide Y Y1 receptor antagonists

  摘要：

  A novel series of cyclohexanamine derivatives was designed and synthesized as potent and selective human neuropeptide Y Y1 receptor antagonists. Modification of high-throughput screening hit compound 1 resulted in the identification of compound 3i, which displays potent Y1 activity and good selectivity towards hERG K(+) channel and serotonin transporter. (C) 2009 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2009.06.050
• 作为产物：
  描述：

  在 氢气 、 palladium(II) hydroxide 作用下， 反应 2.0h， 以90%的产率得到1-(4-phenylpiperidin-4-yl)tetrahydropyrimidin-2(1H)-one
  参考文献：
  名称：

  Design, synthesis and evaluation of a novel cyclohexanamine class of neuropeptide Y Y1 receptor antagonists

  摘要：

  A novel series of cyclohexanamine derivatives was designed and synthesized as potent and selective human neuropeptide Y Y1 receptor antagonists. Modification of high-throughput screening hit compound 1 resulted in the identification of compound 3i, which displays potent Y1 activity and good selectivity towards hERG K(+) channel and serotonin transporter. (C) 2009 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2009.06.050