3-cyclohexyl-1-(morpholinomethyl)piperidine-2,6-dione | 1260370-04-4

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 恶嗪烷类
• 英文名称: 3-cyclohexyl-1-(morpholinomethyl)piperidine-2,6-dione
• CAS: 1260370-04-4
• 化学式: C₁₆H₂₆N₂O₃
• 分子量: 294.394
• InChiKey: INCQIEWRXGTYQL-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.62
• 重原子数：
  21.0
• 可旋转键数：
  3.0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.88
• 拓扑面积：
  49.85
• 氢给体数：
  0.0
• 氢受体数：
  4.0

反应信息

• 作为产物：
  描述：

  吗啉 、 聚合甲醛 、 3-Cyclohexylpiperidine-2,6-dione 以 乙醇 为溶剂， 生成 3-cyclohexyl-1-(morpholinomethyl)piperidine-2,6-dione
  参考文献：
  名称：

  SYNTHETIC, SPECTRAL, ANTIMICROBIAL AND QSAR STUDIES ON NOVEL MANNICH BASES OF GLUTARIMIDES

  摘要：

  A series of forty Mannich bases of glutarimides with sulfonamides and secondary amines were synthesized and evaluated in vitro against six pathogenic Gram-positive and Gram-negative bacteria. The synthesized Mannich bases were characterized by elemental and spectral analysis. The modeling anti-bacterial activities of these newly synthesized Mannich bases against six bacteria was attempted employing H-1 NMR chemical shift, physicochemical properties and topological indices as the correlating parameters. Our results, based on Quantitative Structure-Activity Relationships (QSARs), have indicated that statistically significant models are obtained for modeling the anti-bacterial activities The results are discussed critically using a variety of statistical parameters.

  DOI：

  10.4067/s0717-97072010000300001