N-(3-cyclopentylpropyl)-1-(1-cyclopropanecarbonylpiperidin-4-yl)-N-methylpiperidine-3-carboxamide

• ChemBase编号: 496314
• 分子式: C24H41N3O2
• 平均质量: 403.60124
• 单一同位素质量: 403.31987757
• SMILES: C1(C(=O)N(CCCC2CCCC2)C)CN(C2CCN(C(=O)C3CC3)CC2)CCC1
• Canonical SMILES: O=C(C1CCCN(C1)C1CCN(CC1)C(=O)C1CC1)N(CCCC1CCCC1)C
• InChI: InChI=1S/C24H41N3O2/c1-25(14-4-8-19-6-2-3-7-19)23(28)21-9-5-15-27(18-21)22-12-16-26(17-13-22)24(29)20-10-11-20/h19-22H,2-18H2,1H3
• InChIKey: AIDCLBUYYQXFAX-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: N-(3-cyclopentylpropyl)-1-(1-cyclopropanecarbonylpiperidin-4-yl)-N-methylpiperidine-3-carboxamide
• IUPAC传统名: N-(3-cyclopentylpropyl)-1-(1-cyclopropanecarbonylpiperidin-4-yl)-N-methylpiperidine-3-carboxamide
• 别名: N-(3-cyclopentylpropyl)-1'-(cyclopropylcarbonyl)-N-methyl-1,4'-bipiperidine-3-carboxamide

理论计算性质

JChem

• 质子受体: 3
• 质子供体: 0
• LogD (pH = 5.5): -0.82290834
• LogD (pH = 7.4): 0.4240631
• Log P: 2.573992
• 摩尔折射率: 117.3761 cm^3
• 极化性: 45.95955 Å^3
• 极化表面积: 43.86 Å^2
• 可自由旋转的化学键: 7
• 里宾斯基五规则: true

Provided by Chembridge

• 质子受体: 3
• 质子供体: 0
• Log P: 2.44
• LOG S: -3.25
• 极化表面积: 43.86 Å^2
• 可自由旋转的化学键: 7