N-methyl-5-[4-(morpholin-4-yl)piperidine-1-carbonyl]-N-propylpyridin-2-amine

• ChemBase编号: 314026
• 分子式: C19H30N4O2
• 平均质量: 346.4671
• 单一同位素质量: 346.23687622
• SMILES: C(=O)(N1CCC(N2CCOCC2)CC1)c1cnc(N(CCC)C)cc1
• Canonical SMILES: CCCN(c1ccc(cn1)C(=O)N1CCC(CC1)N1CCOCC1)C
• InChI: InChI=1S/C19H30N4O2/c1-3-8-21(2)18-5-4-16(15-20-18)19(24)23-9-6-17(7-10-23)22-11-13-25-14-12-22/h4-5,15,17H,3,6-14H2,1-2H3
• InChIKey: ZLAIOKNUHFRFBT-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: N-methyl-5-[4-(morpholin-4-yl)piperidine-1-carbonyl]-N-propylpyridin-2-amine
• IUPAC传统名: N-methyl-5-[4-(morpholin-4-yl)piperidine-1-carbonyl]-N-propylpyridin-2-amine
• 别名: N-methyl-5-[(4-morpholin-4-ylpiperidin-1-yl)carbonyl]-N-propylpyridin-2-amine

理论计算性质

JChem

• 质子受体: 5
• 质子供体: 0
• LogD (pH = 5.5): -0.53645265
• LogD (pH = 7.4): 1.1406006
• Log P: 1.4437032
• 摩尔折射率: 101.3132 cm^3
• 极化性: 38.105892 Å^3
• 极化表面积: 48.91 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: 4
• 质子供体: 0
• Log P: 1.26
• LOG S: -2.8
• 极化表面积: 48.91 Å^2
• 可自由旋转的化学键: 5