N,N-dimethyl-3-(piperidin-3-yl)propanamide

• ChemBase编号: 307563
• 分子式: C10H20N2O
• 平均质量: 184.2786
• 单一同位素质量: 184.15756327
• SMILES: C(=O)(N(C)C)CCC1CNCCC1
• Canonical SMILES: O=C(N(C)C)CCC1CCCNC1
• InChI: InChI=1S/C10H20N2O/c1-12(2)10(13)6-5-9-4-3-7-11-8-9/h9,11H,3-8H2,1-2H3
• InChIKey: WQZWSAVUJCYHMU-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: N,N-dimethyl-3-(piperidin-3-yl)propanamide
• IUPAC传统名: N,N-dimethyl-3-(piperidin-3-yl)propanamide
• 别名: N,N-dimethyl-3-(3-piperidinyl)propanamide

登记号

• CAS号: 138304-80-0
• MDL号: MFCD16085041

理论计算性质

• 质子受体: 2
• 质子供体: 1
• LogD (pH = 5.5): -2.9951277
• LogD (pH = 7.4): -2.4291856
• Log P: 0.23176557
• 摩尔折射率: 53.79 cm^3
• 极化性: 21.152966 Å^3
• 极化表面积: 32.34 Å^2