1-Benzyl-4-(3-methoxy-phenyl)-1-oxy-piperidine-4-carboxylic acid amide | 214848-33-6

• 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-Benzyl-4-(3-methoxy-phenyl)-1-oxy-piperidine-4-carboxylic acid amide
• CAS: 214848-33-6
• 化学式: C₂₀H₂₄N₂O₃
• 分子量: 340.422
• InChiKey: SQGJNPCLDXZTFX-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.73
• 重原子数：
  25.0
• 可旋转键数：
  5.0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.35
• 拓扑面积：
  75.38
• 氢给体数：
  1.0
• 氢受体数：
  3.0

反应信息

• 作为反应物：
  描述：

  1-Benzyl-4-(3-methoxy-phenyl)-1-oxy-piperidine-4-carboxylic acid amide 在 palladium on activated charcoal 盐酸 、 氢气 、 potassium carbonate 作用下， 以 四氢呋喃 、 水 为溶剂， 生成
  参考文献：
  名称：

  Synthesis and structure-activity relationships for a series of substituted pyrrolidine NK1/NK2 receptor antagonists

  摘要：

  We recently described the synthesis and characterization of MDL 105,212, a non peptide tachykinin antagonist with high affinity for NK1 and NK2 receptors.(1) Here we report the synthesis and structure-activity relationships for a series of analogs of MDL 105,212 with regards to: NK1 and NK2 receptor binding affinity, physical-chemical characterization; in vitro absorption potential; in vitro metabolic stability; and efficacy in a capsaicin-challenge conscious guinea pig model after oral administration. (C) 1997 Elsevier Science Ltd.

  DOI：

  10.1016/s0960-894x(97)10013-0
• 作为产物：
  描述：

  1-benzyl-4-(3-methoxy-phenyl)-piperidine-4-carbonitrile 在 sodium hydroxide 、 双氧水 作用下， 以 乙醇 为溶剂， 生成 1-Benzyl-4-(3-methoxy-phenyl)-1-oxy-piperidine-4-carboxylic acid amide
  参考文献：
  名称：

  Synthesis and structure-activity relationships for a series of substituted pyrrolidine NK1/NK2 receptor antagonists

  摘要：

  We recently described the synthesis and characterization of MDL 105,212, a non peptide tachykinin antagonist with high affinity for NK1 and NK2 receptors.(1) Here we report the synthesis and structure-activity relationships for a series of analogs of MDL 105,212 with regards to: NK1 and NK2 receptor binding affinity, physical-chemical characterization; in vitro absorption potential; in vitro metabolic stability; and efficacy in a capsaicin-challenge conscious guinea pig model after oral administration. (C) 1997 Elsevier Science Ltd.

  DOI：

  10.1016/s0960-894x(97)10013-0