piperidinomethyl urea | 5824-76-0

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 哌啶类
• 英文名称: piperidinomethyl urea
• 英文别名: 1-methyl-1-piperidin-1-yl-urea；2-Carbamoyl-2-methyl-1,1-pentamethylen-hydrazin；1-Methyl-1-piperidin-1-ylurea
• CAS: 5824-76-0
• 化学式: C₇H₁₅N₃O
• 分子量: 157.216
• InChiKey: OIXVNOFOBSFTRB-UHFFFAOYSA-N

物化性质

• 熔点：
  89-91 °C
• 沸点：
  252.9±23.0 °C(Predicted)
• 密度：
  1.12±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  0.2
• 重原子数：
  11
• 可旋转键数：
  1
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.86
• 拓扑面积：
  49.6
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  piperidinomethyl urea 、 tungsten(VI) oxide monohydrate 、 双氧水 以 乙醇 为溶剂， 生成 [W(peroxo)2(oxo)(piperidinomethyl urea)]
  参考文献：
  名称：

  Preparation and characterization of oxoperoxo tungsten(VI) complexes with morpholinomethyl urea and related ligands

  摘要：

  The monooxodiperoxo complexes of tungsten(VI) of the type [WO(O-2)(2) L-L] (where L-L = morpholinomethyl urea, morpholinomethyl thiourea, piperidinomethyl urea, piperidinomethyl thiourea, pyrrolidinomethyl urea, and pyrrolidinomethy thiourea) have been synthesized and characterized by elemental analysis, IR, electronic spectra, magnetic susceptibility, and conductivity measurements, in addition to TGA/DTA. The energy-minimized structures of these complexes have been obtained by molecular modeling using Hyperchem release 7.52.

  DOI：

  10.1134/s0036023607020106

文献信息

• 4-carboxamido piperidine derivatives and their use as neurokinine antagonists
  申请人：ZENECA LIMITED

  公开号：EP0897913A1

  公开（公告）日：1999-02-24

  The present invention concerns novel carboxamide derivatives of formula I, set out hereinbelow which antagonize the pharmacological actions of one of the endogenous neuropeptide tachykinins at the neurokinin 2 (NK2) receptor, making them useful whenever such antagonism is desired, such as in the treatment of asthma and related conditions. The invention also provides pharmaceutical compositions containing the novel carboxamide derivatives for use in such treatment, methods for their use, and processes and intermediates for the manufacture of the novel carboxamide derivatives.

  本发明涉及式 I 的新型羧酰胺衍生物，如下所述，其可拮抗内源性神经肽之一速激肽在神经激肽 2 (NK2) 受体上的药理作用，使其在任何需要这种拮抗作用的情况下都有用，例如在治疗哮喘和相关疾病中。本发明还提供了含有用于此类治疗的新型羧酰胺衍生物的药物组合物、其使用方法以及用于制造新型羧酰胺衍生物的工艺和中间体。
• 4-CARBOXOAMIDO PIPERIDINE DERIVATIVES, INTERMEDIATES AND USE AS NEUROKININ ANTAGONISTS
  申请人：ZENECA LIMITED

  公开号：EP0667858B1

  公开（公告）日：1999-08-25
• Preparation and characterization of oxoperoxo tungsten(VI) complexes with morpholinomethyl urea and related ligands
  作者：M. S. Pathania、H. N. Sheikh、B. L. Kalsotra

  DOI：10.1134/s0036023607020106

  日期：2007.2

  The monooxodiperoxo complexes of tungsten(VI) of the type [WO(O-2)(2) L-L] (where L-L = morpholinomethyl urea, morpholinomethyl thiourea, piperidinomethyl urea, piperidinomethyl thiourea, pyrrolidinomethyl urea, and pyrrolidinomethy thiourea) have been synthesized and characterized by elemental analysis, IR, electronic spectra, magnetic susceptibility, and conductivity measurements, in addition to TGA/DTA. The energy-minimized structures of these complexes have been obtained by molecular modeling using Hyperchem release 7.52.