1-(2-Oxazolyl)-4-(4-piperidinyl)-1-butanone | 938222-90-3

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 1-(2-Oxazolyl)-4-(4-piperidinyl)-1-butanone
• 英文别名: 1-(1,3-oxazol-2-yl)-4-piperidin-4-ylbutan-1-one
• CAS: 938222-90-3
• 化学式: C₁₂H₁₈N₂O₂
• 分子量: 222.287
• InChiKey: PKVYQZQOXHRPTR-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.5
• 重原子数：
  16
• 可旋转键数：
  5
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.67
• 拓扑面积：
  55.1
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  1-(2-Oxazolyl)-4-(4-piperidinyl)-1-butanone 、 3-环己基丙酰氯 以 二氯甲烷 为溶剂， 生成 4-[1-(3-cyclohexyl-propionyl)-piperidin-4-yl]-1-oxazol-2-yl-butan-1-one
  参考文献：
  名称：

  Novel ketooxazole based inhibitors of fatty acid amide hydrolase (FAAH)

  摘要：

  Efforts to improve the properties of the well studied ketooxazole FAAH inhibitor OL-135 resulted in the discovery of a novel propylpiperidine series of FAAH inhibitors that has a modular design and superior properties to OL-135. The efficacy of one of these compounds was demonstrated in a rat spinal nerve ligation model of neuropathic pain in rats. (c) 2008 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2008.01.091
• 作为产物：
  描述：

  4-(4-oxazol-2-yl-4-oxo-butyl)-piperidine-1-carboxylic acid tert-butyl ester 在 盐酸 作用下， 以 乙醚 为溶剂， 反应 24.0h， 以98%的产率得到1-(2-Oxazolyl)-4-(4-piperidinyl)-1-butanone
  参考文献：
  名称：

  Novel ketooxazole based inhibitors of fatty acid amide hydrolase (FAAH)

  摘要：

  Efforts to improve the properties of the well studied ketooxazole FAAH inhibitor OL-135 resulted in the discovery of a novel propylpiperidine series of FAAH inhibitors that has a modular design and superior properties to OL-135. The efficacy of one of these compounds was demonstrated in a rat spinal nerve ligation model of neuropathic pain in rats. (c) 2008 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2008.01.091

文献信息

• Novel ketooxazole based inhibitors of fatty acid amide hydrolase (FAAH)
  作者：Amy Timmons、Mark Seierstad、Rich Apodaca、Matt Epperson、Dan Pippel、Sean Brown、Leon Chang、Brian Scott、Michael Webb、Sandra R. Chaplan、J. Guy Breitenbucher

  DOI：10.1016/j.bmcl.2008.01.091

  日期：2008.3

  Efforts to improve the properties of the well studied ketooxazole FAAH inhibitor OL-135 resulted in the discovery of a novel propylpiperidine series of FAAH inhibitors that has a modular design and superior properties to OL-135. The efficacy of one of these compounds was demonstrated in a rat spinal nerve ligation model of neuropathic pain in rats. (c) 2008 Elsevier Ltd. All rights reserved.