1-(3-Methoxy-4-methylbenzoyl)piperidin-4-one | 945389-13-9

• 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-(3-Methoxy-4-methylbenzoyl)piperidin-4-one
• CAS: 945389-13-9
• 化学式: C₁₄H₁₇NO₃
• mdl: MFCD09933098
• 分子量: 247.294
• InChiKey: JPTHWIXSJCOVDZ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.2
• 重原子数：
  18
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.428
• 拓扑面积：
  46.6
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  1-(3-Methoxy-4-methylbenzoyl)piperidin-4-one 在 三乙酰氧基硼氢化钠 、 溶剂黄146 作用下， 以 1,2-二氯乙烷 、 乙腈 为溶剂， 生成 5-fluoro-1-(1-(3-methoxy-4-methylbenzoyl)piperidin-4-yl)-1H-benzo[d]imidazol-2(3H)-one
  参考文献：
  名称：

  Piperidine amides as 11β-hydroxysteroid dehydrogenase type 1 inhibitors

  摘要：

  A series of piperidine amide inhibitors of human 11 beta-hydroxysteroid dehydrogenase type 1 (11 beta-HSD1) were identified via modifications of the HTS hit compound 1. The synthesis, in vitro biological evaluation, and structure-activity relationship of these compounds are presented. (c) 2007 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2007.03.083
• 作为产物：
  描述：

  4-哌啶酮 、 3-甲氧基-4-甲基苯甲酸 在 1-(3-二甲基氨基丙基)-3-乙基碳二亚胺 、 三乙胺 作用下， 以 二氯甲烷 为溶剂， 生成 1-(3-Methoxy-4-methylbenzoyl)piperidin-4-one
  参考文献：
  名称：

  Piperidine amides as 11β-hydroxysteroid dehydrogenase type 1 inhibitors

  摘要：

  A series of piperidine amide inhibitors of human 11 beta-hydroxysteroid dehydrogenase type 1 (11 beta-HSD1) were identified via modifications of the HTS hit compound 1. The synthesis, in vitro biological evaluation, and structure-activity relationship of these compounds are presented. (c) 2007 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2007.03.083

文献信息

• Piperidine amides as 11β-hydroxysteroid dehydrogenase type 1 inhibitors
  作者：Katarina Flyrén、Lars O. Bergquist、Victor M. Castro、Christopher Fotsch、Lars Johansson、David J. St. Jean、Lori Sutin、Meredith Williams

  DOI：10.1016/j.bmcl.2007.03.083

  日期：2007.6

  A series of piperidine amide inhibitors of human 11 beta-hydroxysteroid dehydrogenase type 1 (11 beta-HSD1) were identified via modifications of the HTS hit compound 1. The synthesis, in vitro biological evaluation, and structure-activity relationship of these compounds are presented. (c) 2007 Elsevier Ltd. All rights reserved.