1-(5-methoxyfuran-2-carbonyl)-N-(4-methoxyphenyl)piperidin-3-amine

• ChemBase ID: 607984
• Molecular Formular: C18H22N2O4
• Molecular Mass: 330.37828
• Monoisotopic Mass: 330.15795719
• SMILES: c1(C(=O)N2CC(Nc3ccc(cc3)OC)CCC2)oc(cc1)OC
• Canonical SMILES: COc1ccc(cc1)NC1CCCN(C1)C(=O)c1ccc(o1)OC
• InChI: InChI=1S/C18H22N2O4/c1-22-15-7-5-13(6-8-15)19-14-4-3-11-20(12-14)18(21)16-9-10-17(23-2)24-16/h5-10,14,19H,3-4,11-12H2,1-2H3
• InChIKey: RTAVFYUOUHUZJE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(5-methoxyfuran-2-carbonyl)-N-(4-methoxyphenyl)piperidin-3-amine
• IUPAC Traditional name: 1-(5-methoxyfuran-2-carbonyl)-N-(4-methoxyphenyl)piperidin-3-amine
• Synonyms: 1-(5-methoxy-2-furoyl)-N-(4-methoxyphenyl)-3-piperidinamine

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 1.482015
• LogD (pH = 7.4): 1.8383713
• Log P: 1.8454969
• Molar Refractivity: 90.9944 cm^3
• Polarizability: 34.31259 Å^3
• Polar Surface Area: 63.94 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: 2.5
• LOG S: -3.96
• Polar Surface Area: 63.94 Å^2
• Rotatable Bonds: 3