N,N-dimethyl-3-(3-methylpiperidin-1-yl)propanamide

• ChemBase编号: 464864
• 分子式: C11H22N2O
• 平均质量: 198.30518
• 单一同位素质量: 198.17321333
• SMILES: C(=O)(CCN1CC(CCC1)C)N(C)C
• Canonical SMILES: CC1CCCN(C1)CCC(=O)N(C)C
• InChI: InChI=1S/C11H22N2O/c1-10-5-4-7-13(9-10)8-6-11(14)12(2)3/h10H,4-9H2,1-3H3
• InChIKey: BISRFKSWMGVAPR-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: N,N-dimethyl-3-(3-methylpiperidin-1-yl)propanamide
• IUPAC传统名: N,N-dimethyl-3-(3-methylpiperidin-1-yl)propanamide
• 别名: N,N-dimethyl-3-(3-methyl-1-piperidinyl)propanamide

理论计算性质

JChem

• 质子受体: 2
• 质子供体: 0
• LogD (pH = 5.5): -2.6831973
• LogD (pH = 7.4): -1.6555315
• Log P: 0.76091397
• 摩尔折射率: 59.0013 cm^3
• 极化性: 22.99533 Å^3
• 极化表面积: 23.55 Å^2
• 可自由旋转的化学键: 3
• 里宾斯基五规则: true

Provided by Chembridge

• 质子受体: 2
• 质子供体: 0
• Log P: 1.51
• LOG S: -0.19
• 极化表面积: 23.55 Å^2
• 可自由旋转的化学键: 3