4-[5-(2,2-Dimethylpropyl)-1,2,4-oxadiazol-3-yl]piperidine | 874571-77-4

• 分子结构分类: 有机化合物 - 有机氮化合物
• 英文名称: 4-[5-(2,2-Dimethylpropyl)-1,2,4-oxadiazol-3-yl]piperidine
• 英文别名: 5-(2,2-dimethylpropyl)-3-piperidin-4-yl-1,2,4-oxadiazole
• CAS: 874571-77-4
• 化学式: C₁₂H₂₁N₃O
• 分子量: 223.318
• InChiKey: JATIAVYNGPEOSB-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.3
• 重原子数：
  16
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.83
• 拓扑面积：
  51
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  4-[5-(2,2-Dimethylpropyl)-1,2,4-oxadiazol-3-yl]piperidine 在 盐酸 作用下， 以 异丙醇 为溶剂， 生成 5-(2,2-Dimethylpropyl)-3-piperidin-4-yl-1,2,4-oxadiazole;hydrochloride
  参考文献：
  名称：

  [EN] DIMERIC PIPERIDINE DERIVATIVES
  [FR] DERIVES DE PIPERIDINE DIMERES

  摘要：

  以下公式（I）的化合物：N-氧化物形式，药用可接受的添加盐及其立体异构形式，在治疗神经退行性媒介紊乱中具有用途。

  公开号：

  WO2006008260A1
• 作为产物：
  描述：

  Ethyl 4-[5-(2,2-dimethylpropyl)-1,2,4-oxadiazol-3-yl]piperidine-1-carboxylate 在 氢氧化钾 、 异丙醇 作用下， 以75.5%的产率得到4-[5-(2,2-Dimethylpropyl)-1,2,4-oxadiazol-3-yl]piperidine
  参考文献：
  名称：

  [EN] DIMERIC PIPERIDINE DERIVATIVES
  [FR] DERIVES DE PIPERIDINE DIMERES

  摘要：

  以下公式（I）的化合物：N-氧化物形式，药用可接受的添加盐及其立体异构形式，在治疗神经退行性媒介紊乱中具有用途。

  公开号：

  WO2006008260A1

文献信息

• Dimeric Piperidine Derivatives
  申请人：Cik Miroslav

  公开号：US20080015225A1

  公开（公告）日：2008-01-17

  the N-oxide forms, the pharmaceutically acceptable addition salts and the stereochemically isomeric forms thereof, wherein n is 0, 1 or 2; R 2 represents hydroxy; —X— represents C 2-4 alkynyl, C 1-12 alkyl optionally substituted with hydroxy or X represents a divalent radical of the formula wherein; —X 1 — represents C 1-12 alkyl, phenyl or a divalent radical selected from the group consisting of —X 2 — represents C 1-12 alkyl, C 1-4 alkyloxyC 1-4 alkyl, phenyl or a divalent radical of formula —X 3 — represents phenyl or a divalent radical selected from the group consisting of R 1 independently represents hydrogen, C 1-4 alkyl, C 1-4 alkyloxy-, Ar 1 , Ar 2 -carbonyl, Het 1 -C 1-4 alkyl, Het 2 , NR 3 R 4 —C 1-4 alkyl, Ar 3 -C 1-4 alkyloxy- or Het 4 -oxy-; R 3 and R 4 each independently represents hydrogen, C 1-4 alkyl, C 1-4 alkyloxy-, or Het 3 ; Het 1 represents a heterocycle selected from pyridinyl, indolinyl, indolyl, benzimidazolyl, benzthiazolyl, benzisoxazolyl, thiazolyl, pyridinyl, or thiadiazolyl wherein said Het 1 is optionally substituted with one or where possible two or more substituents selected from the group consisting of hydroxy, halo, C 1-4 alkyloxycarbonyl-, C 1-4 alkyl-, C 1-4 alkyloxy- and C 1-4 alkyloxy-substituted with halo; in particular Het 1 represents a heterocycle selected from indolyl or pyridinyl; Het 2 represents a heterocycle selected from indolyl, benzisoxazolyl or oxodiazolyl wherein said Het 2 is optionally substituted with one or where possible two or more substituents selected from the group consisting of hydroxy, halo, C 1-6 alkyl- and C 1-4 alkyloxy-; Het 3 represents a heterocycle selected from benzimidazolyl, benzisoxazolyl or benzthiazolyl wherein said Het 3 is optionally substituted with one or where possible two or more substituents selected from the group consisting of hydroxy, halo, C 1-6 alkyl- and C 1-4 alkyloxy-; in particular Het 3 represents benzthiazolyl substituted with C 1-4 alkyloxy-; Het 4 represents a heterocycle selected from benzimidazolyl, benzisoxazolyl or benzthiazolyl wherein said Het 4 is optionally substituted with one or where possible two or more substituents selected from the group consisting of hydroxy, halo, C 1-6 alkyl- and C 1-4 alkyloxy-; in particular Het 4 represents benzthiazolyl; Ar 1 represents phenyl optionally substituted with halo, C 1-4 alkyl or C 1-4 alkyl substituted with one, two or three halo substituents; Ar 2 represents phenyl optionally substituted with halo, C 1-4 alkyl or C 1-4 alkyl substituted with one, two or three halo substituents; in particular Ar 2 represents phenyl substituted with halo or trifluromethyl; Ar 3 represents phenyl optionally substituted with halo, C 1-4 alkyl or C 1-4 alkyloxy-.
• [EN] DIMERIC PIPERIDINE DERIVATIVES<br/>[FR] DERIVES DE PIPERIDINE DIMERES
  申请人：JANSSEN PHARMACEUTICA NV

  公开号：WO2006008260A1

  公开（公告）日：2006-01-26

  The compounds of the following formula (I) : the N-oxide forms, the pharmaceutically acceptable addition salts and the stereochemically isomeric forms thereof, useful in the treatment of neurodegenerative mediated disorders.

  以下公式（I）的化合物：N-氧化物形式，药用可接受的添加盐及其立体异构形式，在治疗神经退行性媒介紊乱中具有用途。