1-(Dicyclohexylmethyl)piperidin-4-one | 709024-86-2

• 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-(Dicyclohexylmethyl)piperidin-4-one
• CAS: 709024-86-2
• 化学式: C₁₈H₃₁NO
• 分子量: 277.45
• InChiKey: GYMPNUUGEYSVDG-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.5
• 重原子数：
  20
• 可旋转键数：
  3
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.94
• 拓扑面积：
  20.3
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  1-(Dicyclohexylmethyl)piperidin-4-one 在 三乙酰氧基硼氢化钠 、 对甲苯磺酸 、 溶剂黄146 作用下， 以 1,2-二氯乙烷 、 甲苯 为溶剂， 反应 1.0h， 生成 1-(1-Dicyclohexylmethyl-piperidin-4-yl)-1,3-dihydro-indol-2-one
  参考文献：
  名称：

  A Novel Series of Piperidin-4-yl-1,3-Dihydroindol-2-ones as Agonist and Antagonist Ligands at the Nociceptin Receptor

  摘要：

  A series of N-(4-piperidinyl)-2-indolinones were discovered as a new structural class of nociceptin receptor (NOP) ligands. Unlike other previously reported classes of NOP receptor ligands, modifications of the piperidine N substituents afforded both potent agonists and antagonists, with modest selectivities over other opioid receptors. The SAR revealed in this new series will provide important insights for the development of pharmacophores for agonist and antagonist actions at the NOP receptor.

  DOI：

  10.1021/jm034249d
• 作为产物：
  描述：

  N-乙基-4-哌啶酮 在 potassium carbonate 作用下， 以 乙醇 、 丙酮 为溶剂， 反应 19.0h， 生成 1-(Dicyclohexylmethyl)piperidin-4-one
  参考文献：
  名称：

  A Novel Series of Piperidin-4-yl-1,3-Dihydroindol-2-ones as Agonist and Antagonist Ligands at the Nociceptin Receptor

  摘要：

  A series of N-(4-piperidinyl)-2-indolinones were discovered as a new structural class of nociceptin receptor (NOP) ligands. Unlike other previously reported classes of NOP receptor ligands, modifications of the piperidine N substituents afforded both potent agonists and antagonists, with modest selectivities over other opioid receptors. The SAR revealed in this new series will provide important insights for the development of pharmacophores for agonist and antagonist actions at the NOP receptor.

  DOI：

  10.1021/jm034249d

文献信息

• A Novel Series of Piperidin-4-yl-1,3-Dihydroindol-2-ones as Agonist and Antagonist Ligands at the Nociceptin Receptor
  作者：Nurulain T. Zaveri、Faming Jiang、Cris M. Olsen、Jeffrey R. Deschamps、Damon Parrish、Willma Polgar、Lawrence Toll

  DOI：10.1021/jm034249d

  日期：2004.6.1

  A series of N-(4-piperidinyl)-2-indolinones were discovered as a new structural class of nociceptin receptor (NOP) ligands. Unlike other previously reported classes of NOP receptor ligands, modifications of the piperidine N substituents afforded both potent agonists and antagonists, with modest selectivities over other opioid receptors. The SAR revealed in this new series will provide important insights for the development of pharmacophores for agonist and antagonist actions at the NOP receptor.