1,5,6-trimethyl-3-{4-[2-(morpholin-4-yl)ethyl]piperazine-1-carbonyl}-1,2-dihydropyridin-2-one

• ChemBase编号: 339538
• 分子式: C19H30N4O3
• 平均质量: 362.4665
• 单一同位素质量: 362.23179084
• SMILES: c1(c(=O)n(c(c(c1)C)C)C)C(=O)N1CCN(CC1)CCN1CCOCC1
• Canonical SMILES: O=C(c1cc(C)c(n(c1=O)C)C)N1CCN(CC1)CCN1CCOCC1
• InChI: InChI=1S/C19H30N4O3/c1-15-14-17(18(24)20(3)16(15)2)19(25)23-8-6-21(7-9-23)4-5-22-10-12-26-13-11-22/h14H,4-13H2,1-3H3
• InChIKey: UMNKUDGJRALHET-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 1,5,6-trimethyl-3-{4-[2-(morpholin-4-yl)ethyl]piperazine-1-carbonyl}-1,2-dihydropyridin-2-one
• IUPAC传统名: 1,5,6-trimethyl-3-{4-[2-(morpholin-4-yl)ethyl]piperazine-1-carbonyl}pyridin-2-one
• 别名: 1,5,6-trimethyl-3-{[4-(2-morpholin-4-ylethyl)piperazin-1-yl]carbonyl}pyridin-2(1H)-one

理论计算性质

JChem

• 质子受体: 5
• 质子供体: 0
• LogD (pH = 5.5): -2.4393384
• LogD (pH = 7.4): -0.79461795
• Log P: -0.4391118
• 摩尔折射率: 103.8767 cm^3
• 极化性: 39.22696 Å^3
• 极化表面积: 56.33 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: 5
• 质子供体: 0
• Log P: -0.29
• LOG S: -2.9
• 极化表面积: 58.02 Å^2
• 可自由旋转的化学键: 4