N-[1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]-N-methyl-2-oxo-2H-chromene-3-carboxamide

• ChemBase ID: 485275
• Molecular Formular: C25H26N2O3
• Molecular Mass: 402.48554
• Monoisotopic Mass: 402.1943427
• SMILES: c1(C(=O)N(C2CN(C3Cc4c(C3)cccc4)CCC2)C)c(=O)oc2c(c1)cccc2
• Canonical SMILES: CN(C(=O)c1cc2ccccc2oc1=O)C1CCCN(C1)C1Cc2c(C1)cccc2
• InChI: InChI=1S/C25H26N2O3/c1-26(24(28)22-15-19-9-4-5-11-23(19)30-25(22)29)20-10-6-12-27(16-20)21-13-17-7-2-3-8-18(17)14-21/h2-5,7-9,11,15,20-21H,6,10,12-14,16H2,1H3
• InChIKey: MMJDIUPXTZPVAE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]-N-methyl-2-oxo-2H-chromene-3-carboxamide
• IUPAC Traditional name: N-[1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]-N-methyl-2-oxochromene-3-carboxamide
• Synonyms: N-[1-(2,3-dihydro-1H-inden-2-yl)-3-piperidinyl]-N-methyl-2-oxo-2H-chromene-3-carboxamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 0.43135497
• LogD (pH = 7.4): 2.0460424
• Log P: 3.6080112
• Molar Refractivity: 116.8162 cm^3
• Polarizability: 44.82966 Å^3
• Polar Surface Area: 49.85 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 3.15
• LOG S: -4.05
• Polar Surface Area: 53.76 Å^2
• Rotatable Bonds: 3