N,N-dimethyl-4-[2-(4-methylpentyl)morpholine-4-carbonyl]piperidine-1-carboxamide

• ChemBase编号: 477689
• 分子式: C19H35N3O3
• 平均质量: 353.4995
• 单一同位素质量: 353.267842
• SMILES: C(=O)(N1CCC(C(=O)N2CC(OCC2)CCCC(C)C)CC1)N(C)C
• Canonical SMILES: CC(CCCC1OCCN(C1)C(=O)C1CCN(CC1)C(=O)N(C)C)C
• InChI: InChI=1S/C19H35N3O3/c1-15(2)6-5-7-17-14-22(12-13-25-17)18(23)16-8-10-21(11-9-16)19(24)20(3)4/h15-17H,5-14H2,1-4H3
• InChIKey: UUOHPJLORSJOGF-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: N,N-dimethyl-4-[2-(4-methylpentyl)morpholine-4-carbonyl]piperidine-1-carboxamide
• IUPAC传统名: N,N-dimethyl-4-[2-(4-methylpentyl)morpholine-4-carbonyl]piperidine-1-carboxamide
• 别名: N,N-dimethyl-4-{[2-(4-methylpentyl)-4-morpholinyl]carbonyl}-1-piperidinecarboxamide

理论计算性质

JChem

• 质子受体: 3
• 质子供体: 0
• LogD (pH = 5.5): 1.5857118
• LogD (pH = 7.4): 1.5857127
• Log P: 1.5857127
• 摩尔折射率: 99.0958 cm^3
• 极化性: 38.525505 Å^3
• 极化表面积: 53.09 Å^2
• 可自由旋转的化学键: 5
• 里宾斯基五规则: true

Provided by Chembridge

• 质子受体: 3
• 质子供体: 0
• Log P: 2.15
• LOG S: -3.13
• 极化表面积: 53.09 Å^2
• 可自由旋转的化学键: 4