1-[2-(2-thienyl)]ethyl-4-(ethyl-1,3,4-oxadiazolyl)-4-(N-phenylpropionamido)piperidine | 120070-69-1

• 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: 1-[2-(2-thienyl)]ethyl-4-(ethyl-1,3,4-oxadiazolyl)-4-(N-phenylpropionamido)piperidine
• 英文别名: 1-[2-(2-thienyl)ethyl]-4-(ethyl-1,3,4-oxadiazolyl)-4-(N-phenylpropionamido)piperidine；N-[4-(5-ethyl-1,3,4-oxadiazol-2-yl)-1-(2-thiophen-2-ylethyl)piperidin-4-yl]-N-phenylpropanamide
• CAS: 120070-69-1
• 化学式: C₂₄H₃₀N₄O₂S
• 分子量: 438.594
• InChiKey: YAYQGQDNFUNTRF-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4
• 重原子数：
  31
• 可旋转键数：
  8
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.46
• 拓扑面积：
  90.7
• 氢给体数：
  0
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  1-[2-(2-thienyl)]ethyl-4-(ethyl-1,3,4-oxadiazolyl)-4-(N-phenylpropionamido)piperidine 生成 N-[4-(5-ethyl-1,3,4-oxadiazol-2-yl)-1-(2-thiophen-2-ylethyl)piperidin-4-yl]-N-phenylpropanamide;oxalic acid
  参考文献：
  名称：

  LIN, BOR-SHENG;SCHEBLEIN, JOSEPH W.

  摘要：

  DOI：
• 作为产物：
  描述：

  丙酰氯 生成 1-[2-(2-thienyl)]ethyl-4-(ethyl-1,3,4-oxadiazolyl)-4-(N-phenylpropionamido)piperidine
  参考文献：
  名称：

  LIN, BOR-SHENG;KUDZMA, L. V.

  摘要：

  DOI：

文献信息

• 4-heteropentacyclic-4-[N-(phenyl)amino] piperidine derivatives and
  申请人：The BOC Group, Inc.

  公开号：US04791120A1

  公开（公告）日：1988-12-13

  Compounds are disclosed of the formula ##STR1## where R.sup.1 is an unsubstituted or substituted heterocyclic ring system; R.sup.2 is an unsubstituted or substituted phenyl; R.sup.3 is a lower alkyl or lower alkoxy, and L is selected from a wide variety of groups.

  化合物的结构式为##STR1##，其中R.sup.1是未取代或取代的杂环环系统；R.sup.2是未取代或取代的苯基；R.sup.3是低碳基或低烷氧基，L可从各种不同的基团中选择。
• Methods of preparing 4-heteropentacyclic-4-(N-phenyl)amido) piperidine
  申请人：BOC, Inc.

  公开号：US04831192A1

  公开（公告）日：1989-05-16

  Compounds are disclosed of the formula ##STR1## Where R.sup.1 is an unsubstituted or substituted heterocyclic ring system; R.sup.2 is an unsubstituted or substituted phenyl; R.sup.3 is a lower alkyl or lower alkoxy, and L is selected from a wide variety of groups.

  公开了化合物的式子为##STR1##其中，R.sup.1是未取代或取代的杂环环系；R.sup.2是未取代或取代的苯基；R.sup.3是低碳基或低烷氧基，而L是从各种各样的基团中选择的。
• 4-heteropentacyclic-4-(N-(phenyl)amido) piperidine derivatives and
  申请人：BOC, Inc.

  公开号：US04871749A1

  公开（公告）日：1989-10-03

  Compounds are disclosed of the formula ##STR1## wherein R.sup.1 is an unsubstituted or substituted herterocyclic ring system; R.sup.2 is an unsubstituted or substituted phenyl; R.sup.3 is a lower alkyl or lower alkoxy, and L is selected from a wide variety of groups.

  公开了化合物的结构式##STR1##其中R.sup.1是未取代或取代的杂环环系；R.sup.2是未取代或取代的苯基；R.sup.3是较低的烷基或烷氧基，L是从各种各样的基团中选择的。
• 4-Heteropentacyclic-4- N-(phenyl)amido piperidine compounds
  申请人：Ohmeda Pharmaceutical Products Division Inc.

  公开号：EP0328830A1

  公开（公告）日：1989-08-23

  A compound of the formula and/or a pharmaceutically acceptable acid addition salt thereof, in which formula: R1 is an unsaturated heterocyclic ring of 5 cyclic member atoms, including 1 to 4 nitrogen atoms, and 0 to 1 sulphur or oxygen atoms, said heterocyclic ring being unsubstituted or substituted wherein the or each substituent is selected from lower alkyl, lower alkoxy and lower alkoxy lower alkyl groups; R2 is a substituted or unsustituted phenyl group in which the or each substituent is a halogen atom; R3 is a lower alkyl or a lower alkoxy lower alkyl group; and L is a lower alkyl group; a lower alkoxy group; a thienyl lower alkyl group; a lower alkoxy lower alkyl group; a thiazolyl lower alkyl group, unsubstituted, or substituted in the 4-position (of the thiazolylmoiety) with a lower alkyl group; a (4,5-di-hydro-5-oxo-1 H-tetrazol-1-yl) lower alkyl group, unsubstituted, or substituted in the 4-position (of the tetrazolyl moiety) with a lower alkyl group; a pyrazolyl lower alkyl group; a pyridinyl lower alkyl group; an oxophenyl lower alkyl group; a 2,4-(1 H,3H)-pyridinedionyl group, disusbstituted in the 3-position with lower alkyl groups; or a phenyl lower alkyl group, unsubstituted or substituted (in the phenyl moiety) with at least one substituent selected from lower alkyl groups; lower alkoxy groups, halgenated lower alkyl groups, and halogen atoms, has analgesic and anaesthetic properties and may be used in analagesic and anaesthetic compositions.

  式化合物 和/或其药学上可接受的酸加成盐，其中式 R1 是由 5 个环状成员原子组成的不饱和杂环，包括 1 至 4 个氮原子和 0 至 1 个硫或氧原子，所述杂环是未取代或取代的，其中或每个取代基选自低级烷基、低级烷氧基和低级烷氧基低级烷基； R2 是取代或未取代的苯基，其中或每个取代基是卤素原子； R3 是低级烷基或低级烷氧基低级烷基；以及 L 是低级烷基；低级烷氧基；噻吩基低级烷基；低级烷氧基低级烷基；未取代的噻唑基低级烷基，或在(噻唑基)4 位被低级烷基取代的噻唑基低级烷基；未被取代的(4,5-二氢-5-氧代-1 H-四唑-1-基)低级烷基，或在(四唑基)的 4 位被低级烷基取代的(4,5-二氢-5-氧代-1 H-四唑-1-基) 或苯基低级烷基，未被取代或（在苯基中）被至少一个选自低级烷基、低级烷氧基、卤代低级烷基和卤素原子的取代基取代，具有镇痛和麻醉特性，可用于镇痛和麻醉组合物中。
• THIOPHENE COMPOUND
  申请人：YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD.

  公开号：EP0596120A1

  公开（公告）日：1994-05-11

  A thiophene compound represented by general formula (I), a pharmaceutically acceptable salt thereof, a pharmaceutical composition comprising this compound and pharmaceutical additives, and an antipsychotic containing this compound as the active ingredient; wherein each symbol is as defined in the specification. This compound has pharmacological activities necessary for an antipsychotic, such as, inhibition of active exercise, antiapomorphine activity, methaphetamine antogonism, and potentiation of tetrabenazine-induced blepharoptosis. It is also useful as an antipsychotic which is reduced in the side effect against an extrapyramidal system and as a non-benzodiazepine ataractic.

  一种由通式(I)代表的噻吩化合物、其药学上可接受的盐、一种由该化合物和药用添加剂组成的药物组合物，以及一种含有该化合物作为活性成分的抗精神病药；其中各符号如说明书中所定义。该化合物具有抗精神病药所需的药理活性，如抑制主动运动、抗阿片类活性、甲基苯丙胺抗兴奋性和增强四苯嗪诱导的睑裂。作为一种抗精神病药，它还能减少对锥体外系的副作用，同时也是一种非苯二氮卓类药物。