4-[(Piperidine-4-carbonyl)amino]benzoic acid ethyl ester | 433712-61-9

• 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: 4-[(Piperidine-4-carbonyl)amino]benzoic acid ethyl ester
• 英文别名: ethyl 4-(piperidine-4-carbonylamino)benzoate
• CAS: 433712-61-9
• 化学式: C₁₅H₂₀N₂O₃
• 分子量: 276.33
• InChiKey: ZOQLTMHXBZYTKN-UHFFFAOYSA-N

物化性质

• 沸点：
  484.3±40.0 °C(Predicted)
• 密度：
  1.173±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.3
• 重原子数：
  20
• 可旋转键数：
  5
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.47
• 拓扑面积：
  67.4
• 氢给体数：
  2
• 氢受体数：
  4

文献信息

• NOVEL COMPOUNDS
  申请人：GlaxoSmithKline S.p.A.

  公开号：EP1337253A1

  公开（公告）日：2003-08-27
• [EN] NOVEL COMPOUNDS<br/>[FR] COMPOSES
  申请人：GLAXOSMITHKLINE SPA

  公开号：WO2002043734A1

  公开（公告）日：2002-06-06

  Certain compounds of formula (I) or a pharmaceutically acceptable salts or hydrate thereof wherein R1 is H or alkyl; R2 is aryl or cycloalkyl or heteroaryl; R3 is H or alkyl, optionally substituted by one or more fluorines; R4 is -NR8R9 or R12; r8 is H or methyl; R9 is H, alkyl, aryl, cycloalkyl or R10R11; or R8 and R9 together form a heterocyclic ring comprising 3-8 ringe members, which heterocyclic ring is optionally unsubstituted or is substituted one or more times by R11; R10 is alkyl, aryl or cycloalkyl; R11 is carboxy or alkylcarboxy; R12 is R13 or OR13; R13 is H or alkyl or aryl, optionally substituted by one or more fluorines; R5 is branched or linear alkyl, cycloalkyl, cycloalkylalkyl, aryl, or a single or fused ring aromatic heterocyclic group; R6 represents H or up to three substituents independently selected from the list consisting of: alkyl, alkenyl, aryl, alkoxy, hydroxy, halogen, nitro, cyano, carboxy, carboxamido, sulphonamido, alkoxycarbonyl, trifluoromethyl, acyloxy, amino or mono or di-alkylamino; R7 is H or halo; a is 1-6; and any of R2, R5, R9, and R10 may optionally be substituted one or more times by halo, hydroxy, amino, cyano, nitro, carboxy or oxo; a process for preparing such compounds, a pharmaceutical composition comprising such compounds and the use of such compounds and composition in medicine.