4-ethyl-N-methylpiperidine-4-carboxamide

• ChemBase编号: 308336
• 分子式: C9H18N2O
• 平均质量: 170.25202
• 单一同位素质量: 170.14191321
• SMILES: C(=O)(C1(CC)CCNCC1)NC
• Canonical SMILES: CCC1(CCNCC1)C(=O)NC
• InChI: InChI=1S/C9H18N2O/c1-3-9(8(12)10-2)4-6-11-7-5-9/h11H,3-7H2,1-2H3,(H,10,12)
• InChIKey: MJDGXURQIHIFSU-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 4-ethyl-N-methylpiperidine-4-carboxamide
• IUPAC传统名: 4-ethyl-N-methylpiperidine-4-carboxamide
• 别名: 4-ethyl-N-methyl-4-piperidinecarboxamide

登记号

• MDL号: MFCD18272288

理论计算性质

• 质子受体: 2
• 质子供体: 2
• LogD (pH = 5.5): -2.9273365
• LogD (pH = 7.4): -2.322134
• Log P: 0.2975486
• 摩尔折射率: 48.8962 cm^3
• 极化性: 19.311396 Å^3
• 极化表面积: 41.13 Å^2