5-methoxy-2-{4-[1-(morpholin-4-yl)ethyl]piperidine-1-carbonyl}-4H-pyran-4-one

• ChemBase ID: 517799
• Molecular Formular: C18H26N2O5
• Molecular Mass: 350.40944
• Monoisotopic Mass: 350.18417194
• SMILES: c1(cc(=O)c(co1)OC)C(=O)N1CCC(C(N2CCOCC2)C)CC1
• Canonical SMILES: COc1coc(cc1=O)C(=O)N1CCC(CC1)C(N1CCOCC1)C
• InChI: InChI=1S/C18H26N2O5/c1-13(19-7-9-24-10-8-19)14-3-5-20(6-4-14)18(22)16-11-15(21)17(23-2)12-25-16/h11-14H,3-10H2,1-2H3
• InChIKey: YXXWDXOKIOIOOS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-methoxy-2-{4-[1-(morpholin-4-yl)ethyl]piperidine-1-carbonyl}-4H-pyran-4-one
• IUPAC Traditional name: 5-methoxy-2-{4-[1-(morpholin-4-yl)ethyl]piperidine-1-carbonyl}pyran-4-one
• Synonyms: 5-methoxy-2-({4-[1-(4-morpholinyl)ethyl]-1-piperidinyl}carbonyl)-4H-pyran-4-one

CALCULATED PROPERTIES

JChem

• H Acceptors: 6
• H Donor: 0
• LogD (pH = 5.5): -1.5307566
• LogD (pH = 7.4): 0.08484939
• Log P: 0.41070005
• Molar Refractivity: 95.3374 cm^3
• Polarizability: 36.145554 Å^3
• Polar Surface Area: 68.31 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 6
• H Donor: 0
• Log P: -0.66
• LOG S: -2.5
• Polar Surface Area: 72.22 Å^2
• Rotatable Bonds: 4