N-[2-ethyl-2-(4-fluorophenyl)butyl]piperidine-4-carboxamide | 1338349-58-8

• 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: N-[2-ethyl-2-(4-fluorophenyl)butyl]piperidine-4-carboxamide
• CAS: 1338349-58-8
• 化学式: C₁₈H₂₇FN₂O
• 分子量: 306.424
• InChiKey: BYVKGLVMVCJCDJ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.0
• 重原子数：
  22.0
• 可旋转键数：
  6.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.61
• 拓扑面积：
  41.13
• 氢给体数：
  2.0
• 氢受体数：
  2.0

反应信息

• 作为反应物：
  描述：

  N-[2-ethyl-2-(4-fluorophenyl)butyl]piperidine-4-carboxamide 在 盐酸 、 potassium carbonate 作用下， 以 乙酸乙酯 、 乙腈 为溶剂， 反应 15.0h， 生成 N-[2-ethyl-2-(4-fluorophenyl)butyl]-1-(4-phenylbutyl)piperidine-4-carboxamide hydrochloride
  参考文献：
  名称：

  Synthesis and pharmacological evaluation of 1-alkyl-N-[2-ethyl-2-(4-fluorophenyl)butyl]piperidine-4-carboxamide derivatives as novel antihypertensive agents

  摘要：

  We synthesized and evaluated inhibitory activity against T-type Ca(2+) channels for a series of 1-alkyl-N-[2-ethyl-2-(4-fluorophenyl)butyl]piperidine-4-carboxamide derivatives. Structure-activity relationship studies have revealed that dialkyl substituents at the benzylic position play an important role in increasing inhibitory activity. Oral administration of N-[2-ethyl-2-(4-fluorophenyl)butyl]-1-(2-phenylethyl)piperidine-4-carboxamide (20d) lowered blood pressure in spontaneously hypertensive rats without inducing reflex tachycardia, which is often caused by traditional L-type Ca(2+) channel blockers. (C) 2011 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmc.2011.07.030
• 作为产物：
  描述：

  N-[2-ethyl-2-(4-fluorophenyl)butyl]piperidine-4-carboxamide oxalate 在 碳酸氢钠 作用下， 以 二氯甲烷 、 水 为溶剂， 反应 0.25h， 以0.3 g的产率得到N-[2-ethyl-2-(4-fluorophenyl)butyl]piperidine-4-carboxamide
  参考文献：
  名称：

  Synthesis and pharmacological evaluation of 1-alkyl-N-[2-ethyl-2-(4-fluorophenyl)butyl]piperidine-4-carboxamide derivatives as novel antihypertensive agents

  摘要：

  We synthesized and evaluated inhibitory activity against T-type Ca(2+) channels for a series of 1-alkyl-N-[2-ethyl-2-(4-fluorophenyl)butyl]piperidine-4-carboxamide derivatives. Structure-activity relationship studies have revealed that dialkyl substituents at the benzylic position play an important role in increasing inhibitory activity. Oral administration of N-[2-ethyl-2-(4-fluorophenyl)butyl]-1-(2-phenylethyl)piperidine-4-carboxamide (20d) lowered blood pressure in spontaneously hypertensive rats without inducing reflex tachycardia, which is often caused by traditional L-type Ca(2+) channel blockers. (C) 2011 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmc.2011.07.030