Butyl 4-[[3-(diethylcarbamoyl)piperidine-1-carbonyl]amino]benzoate

• 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: Butyl 4-[[3-(diethylcarbamoyl)piperidine-1-carbonyl]amino]benzoate
• 化学式: C₂₂H₃₃N₃O₄
• 分子量: 403.522
• InChiKey: GLPMFMBNOSYHHW-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.9
• 重原子数：
  29
• 可旋转键数：
  9
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.59
• 拓扑面积：
  79
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  N,N-二乙基尼哌丁酰胺 、 4-(正丁氧基羰基)苯基异氰酸酯 以 氯仿 为溶剂， 反应 3.0h， 生成 Butyl 4-[[3-(diethylcarbamoyl)piperidine-1-carbonyl]amino]benzoate
  参考文献：
  名称：

  Discovery of antirhinoviral leads by screening a combinatorial library of ureas prepared using covalent scavengers

  摘要：

  Solution phase parallel synthesis of equimolar mixtures of ureas was accomplished using a solid-supported ''covalent scavenger'' (aminomethylpolystyrene) to remove isocyanate impurities. Screening of these purified mixtures for antirhinoviral activity in a whole cell assay and subsequent deconvolution of hit mixtures afforded novel antirhinoviral agents with low cytotoxicities. Copyright (C) 1996 Elsevier Science Ltd

  DOI：

  10.1016/s0960-894x(96)00560-4

文献信息

• Discovery of antirhinoviral leads by screening a combinatorial library of ureas prepared using covalent scavengers
  作者：Stephen W Kaldor、James E Fritz、Joseph Tang、Emma R McKinney

  DOI：10.1016/s0960-894x(96)00560-4

  日期：1996.12

  Solution phase parallel synthesis of equimolar mixtures of ureas was accomplished using a solid-supported ''covalent scavenger'' (aminomethylpolystyrene) to remove isocyanate impurities. Screening of these purified mixtures for antirhinoviral activity in a whole cell assay and subsequent deconvolution of hit mixtures afforded novel antirhinoviral agents with low cytotoxicities. Copyright (C) 1996 Elsevier Science Ltd