1-{2-[2-(2-methoxyethyl)piperidin-1-yl]-2-oxoethyl}-5,5-dimethylimidazolidine-2,4-dione

• ChemBase ID: 373662
• Molecular Formular: C15H25N3O4
• Molecular Mass: 311.3767
• Monoisotopic Mass: 311.1845063
• SMILES: N1(C(=O)NC(=O)C1(C)C)CC(=O)N1C(CCOC)CCCC1
• Canonical SMILES: COCCC1CCCCN1C(=O)CN1C(=O)NC(=O)C1(C)C
• InChI: InChI=1S/C15H25N3O4/c1-15(2)13(20)16-14(21)18(15)10-12(19)17-8-5-4-6-11(17)7-9-22-3/h11H,4-10H2,1-3H3,(H,16,20,21)
• InChIKey: IGGPJVACDOOSHM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-{2-[2-(2-methoxyethyl)piperidin-1-yl]-2-oxoethyl}-5,5-dimethylimidazolidine-2,4-dione
• IUPAC Traditional name: 1-{2-[2-(2-methoxyethyl)piperidin-1-yl]-2-oxoethyl}-5,5-dimethylimidazolidine-2,4-dione
• Synonyms: 1-{2-[2-(2-methoxyethyl)piperidin-1-yl]-2-oxoethyl}-5,5-dimethylimidazolidine-2,4-dione

CALCULATED PROPERTIES

JChem

• Acid pKa: 10.144607
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -0.18351375
• LogD (pH = 7.4): -0.18427634
• Log P: -0.18350402
• Molar Refractivity: 80.5713 cm^3
• Polarizability: 31.304466 Å^3
• Polar Surface Area: 78.95 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 0.48
• LOG S: -1.88
• Polar Surface Area: 78.95 Å^2
• Rotatable Bonds: 5