1-ethyl-4-carboxyethyl-4-piperidyl acetic acid ethyl ester | 161693-75-0

• 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-ethyl-4-carboxyethyl-4-piperidyl acetic acid ethyl ester
• 英文别名: Ethyl 4-(2-ethoxy-2-oxoethyl)-1-ethylpiperidine-4-carboxylate
• CAS: 161693-75-0
• 化学式: C₁₄H₂₅NO₄
• 分子量: 271.357
• InChiKey: UXPBBZAUQDVACD-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.4
• 重原子数：
  19
• 可旋转键数：
  8
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.86
• 拓扑面积：
  55.8
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  正丁胺 、 1-ethyl-4-carboxyethyl-4-piperidyl acetic acid ethyl ester 以70%的产率得到2-Butyl-8-ethyl-2,8-diaza-spiro[4.5]decane-1,3-dione
  参考文献：
  名称：

  Synthesis of a new series of 2,8-disubstituted-2,8-diazaspiro[4,5]decan-1-ones as potential muscarinic agonists

  摘要：

  A new series of 2,8-disubstituted-2,8-diazaspiro[4,5]decan-1-ones 2 has been synthesized and tested for affinity towards muscarinic receptors by binding studies in comparison with the model RS-86. The membrane phosphatidylinositol turnover in the presence or absence of carbachol has also been investigated. In both experiments all the new derivatives 2 were found: to be less active than the model; only 5g, which retains the imidic moiety, could approach it in potency. A possible explanation for the lack of activity of this class of compounds is given in terms of the computed interaction energies of the minimized ligand-m(1) receptor complex.

  DOI：

  10.1016/0223-5234(94)90195-3
• 作为产物：
  描述：

  1-乙基-4-哌啶羧酸乙酯 、 溴乙酸乙酯 在 lithium diisopropyl amide 作用下， 生成 1-ethyl-4-carboxyethyl-4-piperidyl acetic acid ethyl ester
  参考文献：
  名称：

  Synthesis of a new series of 2,8-disubstituted-2,8-diazaspiro[4,5]decan-1-ones as potential muscarinic agonists

  摘要：

  A new series of 2,8-disubstituted-2,8-diazaspiro[4,5]decan-1-ones 2 has been synthesized and tested for affinity towards muscarinic receptors by binding studies in comparison with the model RS-86. The membrane phosphatidylinositol turnover in the presence or absence of carbachol has also been investigated. In both experiments all the new derivatives 2 were found: to be less active than the model; only 5g, which retains the imidic moiety, could approach it in potency. A possible explanation for the lack of activity of this class of compounds is given in terms of the computed interaction energies of the minimized ligand-m(1) receptor complex.

  DOI：

  10.1016/0223-5234(94)90195-3