N-[3-[4-(1H-benzo[d][1,2,3]triazol-1-ylmethyl)-4-hydroxypiperidin-1-yl]-1-phenylpropyl]-4-fluorobenzamide | 1357011-90-5

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: N-[3-[4-(1H-benzo[d][1,2,3]triazol-1-ylmethyl)-4-hydroxypiperidin-1-yl]-1-phenylpropyl]-4-fluorobenzamide
• 英文别名: N-[3-[4-(benzotriazol-1-ylmethyl)-4-hydroxypiperidin-1-yl]-1-phenylpropyl]-4-fluorobenzamide
• CAS: 1357011-90-5
• 化学式: C₂₈H₃₀FN₅O₂
• 分子量: 487.577
• InChiKey: SJYGHDHAQQTCTO-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.7
• 重原子数：
  36
• 可旋转键数：
  8
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.32
• 拓扑面积：
  83.3
• 氢给体数：
  2
• 氢受体数：
  6

反应信息

• 作为产物：
  描述：

  6-苄基-1-噁-6-氮杂螺[2.5]辛烷 在 5%-palladium/activated carbon 、 氢气 、 三乙酰氧基硼氢化钠 作用下， 以 甲醇 、 二氯甲烷 为溶剂， 反应 8.0h， 生成 N-[3-[4-(1H-benzo[d][1,2,3]triazol-1-ylmethyl)-4-hydroxypiperidin-1-yl]-1-phenylpropyl]-4-fluorobenzamide
  参考文献：
  名称：

  Synthesis and biological evaluation of novel piperidin-4-ol derivatives

  摘要：

  A series of novel piperidin-4-ol derivatives were designed, synthesized, and evaluated for potential treatment of HIV. The compounds were obtained via an efficient synthetic route in excellent yields and have been characterized by H-1 NMR, C-13 NMR, MS, and elemental analysis. The CCR5 antagonistic activities of the compounds have also been evaluated.

  DOI：

  10.1007/s00706-011-0645-9

文献信息

• Synthesis and biological evaluation of novel piperidin-4-ol derivatives
  作者：Zhiyong Weng、Wei Wei、Xiaowu Dong、Yongzhou Hu、Shufang Huang、Tao Liu、Xin Xie

  DOI：10.1007/s00706-011-0645-9

  日期：2012.2

  A series of novel piperidin-4-ol derivatives were designed, synthesized, and evaluated for potential treatment of HIV. The compounds were obtained via an efficient synthetic route in excellent yields and have been characterized by H-1 NMR, C-13 NMR, MS, and elemental analysis. The CCR5 antagonistic activities of the compounds have also been evaluated.