1-acetyl-N-{[(2-ethoxyphenyl)amino]carbonyl}piperidine-4-carboxamide | 724441-00-3

• 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: 1-acetyl-N-{[(2-ethoxyphenyl)amino]carbonyl}piperidine-4-carboxamide
• 英文别名: 1-acetyl-N-[(2-ethoxyphenyl)carbamoyl]piperidine-4-carboxamide
• CAS: 724441-00-3
• 化学式: C₁₇H₂₃N₃O₄
• 分子量: 333.387
• InChiKey: GDRJASHPSBCSLU-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.6
• 重原子数：
  24
• 可旋转键数：
  4
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.47
• 拓扑面积：
  87.7
• 氢给体数：
  2
• 氢受体数：
  4

文献信息

• [EN] COMPOUND LIBRARIES OF N-(AMINOCARBONYL)-PIPERIDINE-4-CARBOXAMIDE DERIVATIVES CAPABLE OF BINDING TO G-PROTEIN COUPLED RECEPTORS<br/>[FR] BANQUE DE COMPOSES CONTENANT DES DERIVES DE N-(AMINOCARBONYL)-PIPERIDINE-4-CARBOXAMIDE, CAPABLES DE SE FIXER AUX RECEPTEURS COUPLES A LA PROTEINE G
  申请人：BIOFOCUS PLC

  公开号：WO2004058259A1

  公开（公告）日：2004-07-15

  The present invention provides a compound library targeted to receptors with a requirement for a positively charged amine in their structure activity relationships. It is designed to produce both agonists and antagonists and so is expected to be especially useful in producing ligands for orphan receptors. The library is designed around an acylurea coupled to a piperidine moiety. A combination of specific motifs R2 and R1 are appended from the central scaffold and are designed to pick up different interactions at a receptor site. The library comprises or consists of a set of structurally related compounds of general formula (I).

  本发明提供了一个针对需要带正电胺基的受体的化合物库，该化合物库旨在产生激动剂和拮抗剂，因此预计在制备孤儿受体的配体方面特别有用。该库围绕一个酰基脲偶联到哌啶基团而设计。从中心支架附加特定基团R2和R1的组合被设计为在受体位点捕获不同的相互作用。该库包括或由一组结构相关的通用式(I)化合物组成。