1-(4-Methoxybenzoyl)-3-[1-(naphth-2-ylmethyl)piperid-4-yl]urea | 103145-79-5

• 分子结构分类: 有机化合物 - 苯类化合物 - 萘
• 英文名称: 1-(4-Methoxybenzoyl)-3-[1-(naphth-2-ylmethyl)piperid-4-yl]urea
• 英文别名: 4-methoxy-N-[[1-(naphthalen-2-ylmethyl)piperidin-4-yl]carbamoyl]benzamide
• CAS: 103145-79-5
• 化学式: C₂₅H₂₇N₃O₃
• 分子量: 417.508
• InChiKey: NOCZLGQTNQZFIW-UHFFFAOYSA-N

物化性质

• 密度：
  1.25±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  4.7
• 重原子数：
  31
• 可旋转键数：
  5
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.28
• 拓扑面积：
  70.7
• 氢给体数：
  2
• 氢受体数：
  4

文献信息

• Piperidyl - urea, - thiourea and - guanidine derivatives, and intermediates therefor, processes for preparing them and pharmaceutical compositions containing the derivatives
  申请人：JOHN WYETH & BROTHER LIMITED

  公开号：EP0035374A2

  公开（公告）日：1981-09-09

  The invention concerns psychotropic agents useful as antidepressants having the formula and acid addition and quaternary ammonium salts thereof, wherein the dotted line represents an optional bond, Ar represents a ring system of formula in which Q is O,S,-CR7=CR8- and -N=N-; R4, R5 and R6, and R7 and R8 when present, each represent hydrogen or defined substituents and additionally either R4 and R5 when adjacent or R6 and R8 when adjacent, together with the carbon atoms to which they are attached also represent a fused five or six membered carbocyclic or heterocyclic ring optionally carrying one or more defined substituents; R is an optionally substituted aryl or heteroaryl radical or a cycloalkyl radical containing 5 to 7 carbon atoms; R1, R2, R3 and R9 are each hydrogen or a lower alkyl group; n is 0 or 1; X is =0, =S or =NH; Y is -O- or a direct bond and Z is -CO- or -CH2- with the proviso that when Ar is unsubstituted phenyl and R9 is hydrogen then Y is -0-. Processes for preparing the compounds and pharmaceutical compositions containing them are also disclosed. Analogues having a pyridinium ring or ZR representing hydrogen are also disclosed as intermediates.

  本发明涉及可用作抗抑郁剂的精神药物，其化学式为 及其酸加成盐和季铵盐，其中虚线代表任选键，Ar 代表式 其中 Q 是 O、S、-CR7=CR8- 和 -N=N-；R4、R5 和 R6 以及 R7 和 R8（当存在时）各自代表氢或定义的取代基，此外，R4 和 R5（当相邻时）或 R6 和 R8（当相邻时）与它们所连接的碳原子一起还代表可选带一个或多个定义取代基的融合的五或六成员碳环或杂环；R是任选取代的芳基或杂芳基或含有5至7个碳原子的环烷基；R1、R2、R3和R9各自是氢或低级烷基；n是0或1；X是＝0、＝S或＝NH；Y是-O-或直接键，Z是-CO-或-CH2-，但当Ar是未取代的苯基且R9是氢时，则Y是-0-。 此外，还公开了制备这些化合物和含有这些化合物的药物组合物的工艺。还公开了具有吡啶鎓环或 ZR 代表氢的类似物作为中间体。
• US4426387A
  申请人：——

  公开号：US4426387A

  公开（公告）日：1984-01-17
• US4563466A
  申请人：——

  公开号：US4563466A

  公开（公告）日：1986-01-07
• US4722930A
  申请人：——

  公开号：US4722930A

  公开（公告）日：1988-02-02
• US4806552A
  申请人：——

  公开号：US4806552A

  公开（公告）日：1989-02-21