N,4-dimethylpiperidine-4-carboxamide

• ChemBase编号: 309766
• 分子式: C8H16N2O
• 平均质量: 156.22544
• 单一同位素质量: 156.12626314
• SMILES: C(=O)(C1(CCNCC1)C)NC
• Canonical SMILES: CNC(=O)C1(C)CCNCC1
• InChI: InChI=1S/C8H16N2O/c1-8(7(11)9-2)3-5-10-6-4-8/h10H,3-6H2,1-2H3,(H,9,11)
• InChIKey: GCJFSIIVISFIOE-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: N,4-dimethylpiperidine-4-carboxamide
• IUPAC传统名: N,4-dimethylpiperidine-4-carboxamide
• 别名: N,4-dimethyl-4-piperidinecarboxamide

登记号

• MDL号: MFCD18271550

理论计算性质

• 质子受体: 2
• 质子供体: 2
• LogD (pH = 5.5): -3.3719378
• LogD (pH = 7.4): -2.7673461
• Log P: -0.14702007
• 摩尔折射率: 44.2952 cm^3
• 极化性: 17.470844 Å^3
• 极化表面积: 41.13 Å^2