5-methoxy-N-methyl-N-[2-(4-methylpiperidin-1-yl)ethyl]furan-2-carboxamide

• ChemBase ID: 326590
• Molecular Formular: C15H24N2O3
• Molecular Mass: 280.36266
• Monoisotopic Mass: 280.17869264
• SMILES: c1(C(=O)N(CCN2CCC(CC2)C)C)oc(cc1)OC
• Canonical SMILES: COc1ccc(o1)C(=O)N(CCN1CCC(CC1)C)C
• InChI: InChI=1S/C15H24N2O3/c1-12-6-8-17(9-7-12)11-10-16(2)15(18)13-4-5-14(19-3)20-13/h4-5,12H,6-11H2,1-3H3
• InChIKey: YOTBXHSXYYFDCZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-methoxy-N-methyl-N-[2-(4-methylpiperidin-1-yl)ethyl]furan-2-carboxamide
• IUPAC Traditional name: 5-methoxy-N-methyl-N-[2-(4-methylpiperidin-1-yl)ethyl]furan-2-carboxamide
• Synonyms: 5-methoxy-N-methyl-N-[2-(4-methyl-1-piperidinyl)ethyl]-2-furamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): -1.2473768
• LogD (pH = 7.4): 0.52645755
• Log P: 1.4191344
• Molar Refractivity: 77.7469 cm^3
• Polarizability: 29.940884 Å^3
• Polar Surface Area: 45.92 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 2.36
• LOG S: -0.94
• Polar Surface Area: 45.92 Å^2
• Rotatable Bonds: 4