1-Benzoyl-3-(3,4-dichlorophenyl)-3-[3-(4-cyano-4-phenylpiperid-1-yl)propyl]piperidine hydrochloride

• 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-Benzoyl-3-(3,4-dichlorophenyl)-3-[3-(4-cyano-4-phenylpiperid-1-yl)propyl]piperidine hydrochloride
• 英文别名: 1-[3-[1-Benzoyl-3-(3,4-dichlorophenyl)piperidin-3-yl]propyl]-4-phenylpiperidine-4-carbonitrile;hydrochloride
• 化学式: C₃₃H₃₅Cl₂N₃O*ClH
• 分子量: 597.027
• InChiKey: XANHRYBXFATYBX-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  7.93
• 重原子数：
  40
• 可旋转键数：
  7
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.39
• 拓扑面积：
  47.3
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  1-Benzoyl-3-(3,4-dichlorophenyl)-3-[3-(4-cyano-4-phenylpiperid-1-yl)propyl]piperidine hydrochloride 、 4-phenyl-4-(piperid-1-yl)piperidine dihydrochloride dihydrate 、 氯乙烷 在 盐酸 、 sodium hydroxide 、 sodium chloride 作用下， 以 4-(dicyanomethylene)-2-methyl-6-(p-dimethylaminostyryl)-4H-pyran 、 N,N-二甲基甲酰胺 为溶剂， 生成 1-Benzoyl-3-(3,4-dichlorophenyl)-3-[3-[4-(piperid-1-yl)-4-phenylpiperid-1-yl]propyl]piperidine dihydrochloride
  参考文献：
  名称：

  Compounds which are selective antagonists of the human NK.sub.3 receptor

  摘要：

  化合物的化学式为：##STR1## 其中：Ar代表未取代或取代有卤素、甲基或(C.sub.1-C.sub.4)烷氧基的吡啶-2-基或苯基；R.sub.1代表甲基基团；R.sub.11代表氢原子；或R.sub.1和R.sub.11一起代表--(CH.sub.2).sub.3--基团；R.sub.2代表羟基、(C.sub.1-C.sub.7)烷氧基、(C.sub.1-C.sub.7)酰氧基、氰基、--NR.sub.6 R.sub.7基团、--NR.sub.3 COR.sub.4基团、--NR.sub.3 COOR.sub.8基团、--NR.sub.3 SO.sub.2 R.sub.9基团、--NR.sub.3 CONR.sub.10 R.sub.12基团、(C.sub.1-C.sub.7)酰基、(C.sub.1-C.sub.7)烷氧羰基、--CONR.sub.10 R.sub.12基团、--CH.sub.2 OH基团、(C.sub.1-C.sub.7)烷氧甲基、(C.sub.1-C.sub.7)酰氧甲基、(C.sub.1-C.sub.7)烷基氨基羰氧甲基、--CH.sub.2 NR.sub.13 R.sub.14基团、--CH.sub.2 NR.sub.3 COR.sub.4基团、--CH.sub.2 NR.sub.3 COOR.sub.8基团、--CH.sub.2 NR.sub.3 SO.sub.2 R.sub.9基团、--CH.sub.2 NR.sub.3 CONR.sub.10 R.sub.12基团；或R.sub.2构成与哌嗪环邻近碳原子之间的双键；或Ar和R.sub.2与它们附着的碳原子一起构成式子##STR2##，作为NK.sub.3拮抗剂。

  公开号：

  US05741910A1

文献信息

• US5741910A
  申请人：——

  公开号：US5741910A

  公开（公告）日：1998-04-21
• US5942523A
  申请人：——

  公开号：US5942523A

  公开（公告）日：1999-08-24
• US6124316A
  申请人：——

  公开号：US6124316A

  公开（公告）日：2000-09-26
• US6294537B1
  申请人：——

  公开号：US6294537B1

  公开（公告）日：2001-09-25
• Compounds which are selective antagonists of the human NK.sub.3 receptor
  申请人：Sanofi

  公开号：US05741910A1

  公开（公告）日：1998-04-21

  A compound of formula: ##STR1## in which: Ar represents a pyrid-2-yl or a phenyl which is unsubstituted or substituted by a halogen, a methyl or a (C.sub.1 -C.sub.4)alkoxy; R.sub.1 represents a methyl group; R.sub.11 represents hydrogen; or R.sub.1 and R.sub.11 together represent a --(CH.sub.2).sub.3 -- group; R.sub.2 represents a hydroxyl; a (C.sub.1 -C.sub.7)alkoxy; a (C.sub.1 -C.sub.7)acyloxy; a cyano; an --NR.sub.6 R.sub.7 group; an --NR.sub.3 COR.sub.4 group; an --NR.sub.3 COOR.sub.8 group; an --NR.sub.3 SO.sub.2 R.sub.9 group; an --NR.sub.3 CONR.sub.10 R.sub.12 group; a (C.sub.1 -C.sub.7)acyl group; a (C.sub.1 -C.sub.7)alkoxycarbonyl; a --CONR.sub.10 R.sub.12 group; a --CH.sub.2 OH group; a (C.sub.1 -C.sub.7)alkoxymethyl; a (C.sub.1 -C.sub.7)acyloxymethyl; a (C.sub.1 -C.sub.7)alkylaminocarbonyloxymethyl; a --CH.sub.2 NR.sub.13 R.sub.14 group; a --CH.sub.2 NR.sub.3 COR.sub.4 group; a --CH.sub.2 NR.sub.3 COOR.sub.8 group; a --CH.sub.2 NR.sub.3 SO.sub.2 R.sub.9 group; a --CH.sub.2 NR.sub.3 CONR.sub.10 R.sub.12 group; or R.sub.2 constitutes a double bond between the carbon atom to which it is attached and the adjacent carbon atom of the piperidine ring; or Ar and R.sub.2, together with the carbon atom to which they are attached, constitute a group of formula: ##STR2## as NK.sub.3 antagonists.

  化合物的化学式为：##STR1## 其中：Ar代表未取代或取代有卤素、甲基或(C.sub.1-C.sub.4)烷氧基的吡啶-2-基或苯基；R.sub.1代表甲基基团；R.sub.11代表氢原子；或R.sub.1和R.sub.11一起代表--(CH.sub.2).sub.3--基团；R.sub.2代表羟基、(C.sub.1-C.sub.7)烷氧基、(C.sub.1-C.sub.7)酰氧基、氰基、--NR.sub.6 R.sub.7基团、--NR.sub.3 COR.sub.4基团、--NR.sub.3 COOR.sub.8基团、--NR.sub.3 SO.sub.2 R.sub.9基团、--NR.sub.3 CONR.sub.10 R.sub.12基团、(C.sub.1-C.sub.7)酰基、(C.sub.1-C.sub.7)烷氧羰基、--CONR.sub.10 R.sub.12基团、--CH.sub.2 OH基团、(C.sub.1-C.sub.7)烷氧甲基、(C.sub.1-C.sub.7)酰氧甲基、(C.sub.1-C.sub.7)烷基氨基羰氧甲基、--CH.sub.2 NR.sub.13 R.sub.14基团、--CH.sub.2 NR.sub.3 COR.sub.4基团、--CH.sub.2 NR.sub.3 COOR.sub.8基团、--CH.sub.2 NR.sub.3 SO.sub.2 R.sub.9基团、--CH.sub.2 NR.sub.3 CONR.sub.10 R.sub.12基团；或R.sub.2构成与哌嗪环邻近碳原子之间的双键；或Ar和R.sub.2与它们附着的碳原子一起构成式子##STR2##，作为NK.sub.3拮抗剂。