1-[(Naphthalen-2-yl)methyl]piperidine-4-carboxamide | 380424-21-5

• 分子结构分类: 有机化合物 - 苯类化合物 - 萘
• 英文名称: 1-[(Naphthalen-2-yl)methyl]piperidine-4-carboxamide
• 英文别名: 1-(naphthalen-2-ylmethyl)piperidine-4-carboxamide
• CAS: 380424-21-5
• 化学式: C₁₇H₂₀N₂O
• 分子量: 268.359
• InChiKey: NGTXYRTYAZAFGT-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.54
• 重原子数：
  20.0
• 可旋转键数：
  3.0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.35
• 拓扑面积：
  46.33
• 氢给体数：
  1.0
• 氢受体数：
  2.0

反应信息

• 作为反应物：
  描述：

  1-[(Naphthalen-2-yl)methyl]piperidine-4-carboxamide 在 [双(三氟乙酰氧基)碘]苯 作用下， 以 乙醇 、 水 、 乙腈 为溶剂， 生成 2-chloro-6-[4-[1-(2-naphthyl)methyl]piperidinylamino]-9-cyclopentylpurine
  参考文献：
  名称：

  THE DESIGN AND SYNTHESIS OF PURINE INHIBITORS OF CDK2. III

  摘要：

  Cyclin-dependent kinases (CDKs) belong to a class of enzymes that control the ability of a cell to enter into and proceed through the cell division cycle. Using purine as a scaffold, we have synthesized a number of nanomolar inhibitors of CDK-2/cyclin E. In this report, the synthesis of a series of piperidine-substituted purine analogs will be presented, as well as some of their in vitro and in vivo biological effects.

  DOI：

  10.1081/ncn-100002493
• 作为产物：
  描述：

  哌啶-4-甲酰胺 、 2-(氯甲基)萘 在 caesium carbonate 、 potassium iodide 作用下， 以 various solvent(s) 为溶剂， 反应 5.0h， 生成 1-[(Naphthalen-2-yl)methyl]piperidine-4-carboxamide
  参考文献：
  名称：

  THE DESIGN AND SYNTHESIS OF PURINE INHIBITORS OF CDK2. III

  摘要：

  Cyclin-dependent kinases (CDKs) belong to a class of enzymes that control the ability of a cell to enter into and proceed through the cell division cycle. Using purine as a scaffold, we have synthesized a number of nanomolar inhibitors of CDK-2/cyclin E. In this report, the synthesis of a series of piperidine-substituted purine analogs will be presented, as well as some of their in vitro and in vivo biological effects.

  DOI：

  10.1081/ncn-100002493