2-(Piperidin-4-ylmethyl)isoindolin-1-one | 749206-16-4

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 异吲哚及其衍生物
• 英文名称: 2-(Piperidin-4-ylmethyl)isoindolin-1-one
• 英文别名: 2-(piperidin-4-ylmethyl)-3H-isoindol-1-one
• CAS: 749206-16-4
• 化学式: C₁₄H₁₈N₂O
• 分子量: 230.31
• InChiKey: XMCQKFLXTPENLA-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.3
• 重原子数：
  17
• 可旋转键数：
  2
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  32.3
• 氢给体数：
  1
• 氢受体数：
  2

文献信息

• Compositions and methods for treating schizophrenia
  申请人：Minerva Neurosciences, Inc.

  公开号：US10258614B2

  公开（公告）日：2019-04-16

  The disclosure provides a novel polymorph of Compound (I): 2-((1-(2-(4-Fluorophenyl)-2-oxoethyl)piperidin-4-yl)methyl)isoindolin-1-one monohydrochloride dihydrate, i.e., Form (A) of Compound (I).HCl.2H2O. Pharmaceutical compositions comprising Form (A) of Compound (I).HCl.2H2O and related methods of treatment are also disclosed.

  本公开提供了化合物 (I) 的新型多晶型： 2-((1-(2-(4-氟苯基)-2-氧代乙基)哌啶-4-基)甲基)异吲哚啉-1-酮单盐酸盐二水合物，即化合物(I).HCl.2H2O的形式(A)。还公开了包含化合物(I).HCl.2H2O的形式(A)的药物组合物和相关的治疗方法。
• COMPOSITIONS COMPRISING 2-((1-(2(4-FLUOROPHENYL)-2-OXOETHYL)PIPERIDIN-4-YL)METHYL)ISOINDOLIN-1-ONE FOR TREATING SCHIZOPHRENIA
  申请人：Minerva Neurosciences, Inc.

  公开号：EP3227273B1

  公开（公告）日：2022-02-09
• COMPOSITIONS AND METHODS FOR TREATING SCHIZOPHRENIA
  申请人：Minerva Neurosciences, Inc.

  公开号：US20170042877A1

  公开（公告）日：2017-02-16

  The disclosure provides a novel polymorph of Compound (I): 2-((1-(2-(4-Fluorophenyl)-2-oxoethyl)piperidin-4-yl)methyl)isoindolin-1-one monohydrochloride dihydrate, i.e., Form (A) of Compound (I).HCl.2H 2 O. Pharmaceutical compositions comprising Form (A) of Compound (I).HCl.2H 2 O and related methods of treatment are also disclosed.
• US9730920B2
  申请人：——

  公开号：US9730920B2

  公开（公告）日：2017-08-15
• [EN] COMPOSITIONS COMPRISING 2-((1-(2(4-FLUOROPHENYL)-2-OXOETHYL)PIPERIDIN-4-YL)METHYL)ISOINDOLIN-1-ONE FOR TREATING SCHIZOPHRENIA<br/>[FR] COMPOSITIONS CONTENANT DE LA 2-((1-(2(4-FLUOROPHÉNYL)-2-OXOÉTHYL)PIPÉRIDIN-4-YL)MÉTHYL)ISOINDOLIN-1-ONE POUR TRAITER LA SCHIZOPHRÉNIE
  申请人：MINERVA NEUROSCIENCES INC

  公开号：WO2016089766A1

  公开（公告）日：2016-06-09

  The disclosure provides a novel polymorph of Compound (I):, 2-((l-(2-(4-Fluorophenyl)-2-oxoethyl)piperidin-4- yl)methyl)isoindolin-l-one monohydrochloride dihydrate, i.e., Form (A) of Compound (Ι)·ΗΟ·2Η2O. Pharmaceutical compositions comprising Form (A) of Compound (Ι)·ΗΟ·2Η2O and related methods of treatment are also disclosed.