1-[3-(3-Piperidin-1-ylmethyl-phenoxy)-propyl]-3-propyl-urea | 120958-82-9

• 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-[3-(3-Piperidin-1-ylmethyl-phenoxy)-propyl]-3-propyl-urea
• 英文别名: 1-[3-[3-(Piperidin-1-ylmethyl)phenoxy]propyl]-3-propylurea
• CAS: 120958-82-9
• 化学式: C₁₉H₃₁N₃O₂
• 分子量: 333.474
• InChiKey: MDMJQHWOYDAGNN-UHFFFAOYSA-N

物化性质

• 熔点：
  99-101 °C
• 沸点：
  526.2±35.0 °C(Predicted)
• 密度：
  1.063±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.9
• 重原子数：
  24
• 可旋转键数：
  9
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.63
• 拓扑面积：
  53.6
• 氢给体数：
  2
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  N-3-[3-(1-哌啶甲基)-苯氧基]丙胺 生成 1-[3-(3-Piperidin-1-ylmethyl-phenoxy)-propyl]-3-propyl-urea
  参考文献：
  名称：

  MATSUKUBO, XIROSI;MATSUMOTO, TOEMI;MIYASITA, MITSUTOMO;OKAMURA, XISAYA;TA+

  摘要：

  DOI：

文献信息

• Synthesis and antiulcer activity of N-substituted N'-[3-[3-(piperidinomethyl)phenoxy]propyl]ureas: histamine H2-receptor antagonists with potent mucosal protective activity
  作者：Mitsutomo Miyashita、Toyomi Matsumoto、Hiroshi Matsukubo、Fujio Iinuma、Fukutaro Taga、Haruo Sekiguchi、Katsuhiro Hamada、Kyuya Okamura、Keigo Nishino

  DOI：10.1021/jm00091a012

  日期：1992.6

  As an aim toward developing new antiulcer agents, new N-substituted N'-[3-[3-(piperidinomethyl)phenoxylpropyl]ureas were synthesized and evaluated for histamine H-2-receptor antagonistic, gastric antisecretory, and gastric mucosal protective activities. A QSAR study showed that the most favorable N-substituents were electron-donating straight-chain alkyl groups of short length such as ethyl group from the viewpoint of dual action, i.e., gastric antisecretory and mucosal protective actions. Among the ureas studied, compounds 4, 5, and 8-10 were selected as candidates for further study.
• MATSUKUBO, XIROSI;MATSUMOTO, TOEMI;MIYASITA, MITSUTOMO;OKAMURA, XISAYA;TA+
  作者：MATSUKUBO, XIROSI、MATSUMOTO, TOEMI、MIYASITA, MITSUTOMO、OKAMURA, XISAYA、TA+

  DOI：——

  日期：——