N,N-dimethyl-3-[1-(6-methylquinolin-4-yl)piperidin-3-yl]propanamide

• ChemBase编号: 532224
• 分子式: C20H27N3O
• 平均质量: 325.44788
• 单一同位素质量: 325.2154125
• SMILES: N1(c2c3c(ncc2)ccc(c3)C)CC(CCC(=O)N(C)C)CCC1
• Canonical SMILES: Cc1ccc2c(c1)c(ccn2)N1CCCC(C1)CCC(=O)N(C)C
• InChI: InChI=1S/C20H27N3O/c1-15-6-8-18-17(13-15)19(10-11-21-18)23-12-4-5-16(14-23)7-9-20(24)22(2)3/h6,8,10-11,13,16H,4-5,7,9,12,14H2,1-3H3
• InChIKey: CORUUPWPSVCYNX-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: N,N-dimethyl-3-[1-(6-methylquinolin-4-yl)piperidin-3-yl]propanamide
• IUPAC传统名: N,N-dimethyl-3-[1-(6-methylquinolin-4-yl)piperidin-3-yl]propanamide
• 别名: N,N-dimethyl-3-[1-(6-methyl-4-quinolinyl)-3-piperidinyl]propanamide

理论计算性质

JChem

• 质子受体: 3
• 质子供体: 0
• LogD (pH = 5.5): 1.8536766
• LogD (pH = 7.4): 2.4331238
• Log P: 3.1770098
• 摩尔折射率: 98.5457 cm^3
• 极化性: 38.767563 Å^3
• 极化表面积: 36.44 Å^2
• 可自由旋转的化学键: 4
• 里宾斯基五规则: true

Provided by Chembridge

• 质子受体: 2
• 质子供体: 0
• Log P: 2.91
• LOG S: -4.06
• 极化表面积: 36.44 Å^2
• 可自由旋转的化学键: 4