1-(1-benzylpiperidin-4-yl)-N-methyl-N-(2-methylpropyl)piperidine-3-carboxamide

• ChemBase编号: 333483
• 分子式: C23H37N3O
• 平均质量: 371.55938
• 单一同位素质量: 371.29366282
• SMILES: C(=O)(C1CN(C2CCN(CC2)Cc2ccccc2)CCC1)N(CC(C)C)C
• Canonical SMILES: CC(CN(C(=O)C1CCCN(C1)C1CCN(CC1)Cc1ccccc1)C)C
• InChI: InChI=1S/C23H37N3O/c1-19(2)16-24(3)23(27)21-10-7-13-26(18-21)22-11-14-25(15-12-22)17-20-8-5-4-6-9-20/h4-6,8-9,19,21-22H,7,10-18H2,1-3H3
• InChIKey: HYAUKKOKKWIIKT-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 1-(1-benzylpiperidin-4-yl)-N-methyl-N-(2-methylpropyl)piperidine-3-carboxamide
• IUPAC传统名: 1-(1-benzylpiperidin-4-yl)-N-methyl-N-(2-methylpropyl)piperidine-3-carboxamide
• 别名: 1'-benzyl-N-isobutyl-N-methyl-1,4'-bipiperidine-3-carboxamide

理论计算性质

Provided by Chembridge

• Log P: 3.58
• LOG S: -2.19
• 极化表面积: 26.79 Å^2
• 可自由旋转的化学键: 5
• 质子受体: 3
• 质子供体: 0

JChem

• 摩尔折射率: 113.6395 cm^3
• 极化性: 44.466415 Å^3
• 极化表面积: 26.79 Å^2
• 可自由旋转的化学键: 6
• 里宾斯基五规则: true
• 质子受体: 3
• 质子供体: 0
• LogD (pH = 5.5): -2.1429605
• LogD (pH = 7.4): 0.106165886
• Log P: 3.0551796