4-Piperidinecarboxylic acid, 4-[acetyl(phenylmethoxy)amino]-1-[2-(2-thienyl)ethyl]-, methyl ester | 1983120-73-5

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 英文名称: 4-Piperidinecarboxylic acid, 4-[acetyl(phenylmethoxy)amino]-1-[2-(2-thienyl)ethyl]-, methyl ester
• 英文别名: methyl 4-[acetyl(phenylmethoxy)amino]-1-(2-thiophen-2-ylethyl)piperidine-4-carboxylate
• CAS: 1983120-73-5
• 化学式: C₂₂H₂₈N₂O₄S
• 分子量: 416.5
• InChiKey: BCDNSOWCUYEOQV-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.2
• 重原子数：
  29
• 可旋转键数：
  9
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.45
• 拓扑面积：
  87.3
• 氢给体数：
  0
• 氢受体数：
  6

文献信息

• N-Aryl-N-(4-Piperidinyl)amides and pharmaceutical compositions and methods employing such compounds
  申请人：Anaquest, Inc.

  公开号：EP0160422A1

  公开（公告）日：1985-11-06

  Compounds are disclosed of the formula optically active isomeric forms thereof, and/or pharmaceutically acceptable acid addition salts thereof, in which formula: R is selected from the group consisting of phenyl and substituted phenyl wherein the substituents are selected from halogen, cyano, lower-alkoxy, lower-alkyl, lower-alkylenedioxy, halogenated lower-alkyl, lower-alkylthio, or combinations thereof: R1 is selected from a furanyl group, a thienyl group or a group of the formula wherein R5 is selected from lower-alkyl, lower-cycloalkyl, halogenated lower-alkyl, phenyl, or phenyl lower-alkyl, and wherein each R6 is independently selected from hydrogen, lower-cycloalkyl or lower-alkyl; P2 is selected from the group consisting of phenyl-lower-alkyl, lower-alkyl, lower-alkenyl, lower-alkynyl, halogenated lower-alkyl, (cycloalkyl)alkyl, thienyl lower-alkyl,thiazolyl lower-alkyl which can be substituted in the 4-position with a methyl group, (4,5-dihydro-5-oxo-1H-tetrazol-1-yl) lower-alkyl which can be substituted in the 4-position with a group selected from lower-alkyl, lower cycloalkyl, aryl or aryl lower-alkyl, and substituted phenyl lower-alkyl in whcih the substituents on the phenyl ring are selected from halogen, cyano, lower-alkoxy, lower-alkyl, lower-alkylenedioxy, halogenated lower-alkyl, lower-alkylthio or combinations thereof; R3 is selected from a ! group consisting of hydrogen, methoxymethyl, and a carboxylate radical represented by the formula. wherein R10 is selected from the group consisting of lower-alkyl, aryl-lower-alkyl, lower-alkoxy-lower-alkyl, and aryloxy-lower-alkyl; and R4 is selected from hydrogen or methyl. Analgesic compositions containing these compounds and methods of using such compounds are also disclosed.

  所公开的化合物为式 其光学活性异构体形式，和/或其药学上可接受的酸加成盐，式中R 选自苯基和取代苯基组成的组，其中取代基选自卤素、氰基、低级烷氧基、低级烷基、低级烷二氧基、卤代低级烷基、低级烷硫基或其组合：R1 选自呋喃基、噻吩基或式如下的基团 其中 R5 选自低烷基、低环烷基、卤代低烷基、苯基或苯基低烷基，且每个 R6 独立选自氢、低环烷基或低烷基；P2 选自由苯基-低级烷基、低级烷基、低级烯基、低级炔基、卤代低级烷基、 （环烷基）烷基、噻吩低级烷基、可在 4 位被甲基取代的噻唑低级烷基、可在 4 位被选 自低级烷基的基团取代的（4,5-二氢-5-氧代-1H-四唑-1-基）低级烷基、低级环烷基、芳基或芳基低级烷基和取代的苯基低级烷基，其中苯环上的取代基 选自卤素、氰基、低级烷氧基、低级烷基、低级烷二氧基、卤代低级烷基、低级烷硫基 或它们的组合；R3 选自！其中 R10 选自由低级烷基、芳基-低级烷基、低级烷氧基-低级烷基和芳氧基-低级烷基组成的组；R4 选自由氢或甲基。还公开了含有这些化合物的镇痛组合物和使用这些化合物的方法。
• US4584303A
  申请人：——

  公开号：US4584303A

  公开（公告）日：1986-04-22