N-methyl-1-{[3-(5-methylfuran-2-yl)phenyl]methyl}piperidine-2-carboxamide

• ChemBase ID: 693349
• Molecular Formular: C19H24N2O2
• Molecular Mass: 312.40606
• Monoisotopic Mass: 312.18377802
• SMILES: N1(C(C(=O)NC)CCCC1)Cc1cc(c2oc(cc2)C)ccc1
• Canonical SMILES: CNC(=O)C1CCCCN1Cc1cccc(c1)c1ccc(o1)C
• InChI: InChI=1S/C19H24N2O2/c1-14-9-10-18(23-14)16-7-5-6-15(12-16)13-21-11-4-3-8-17(21)19(22)20-2/h5-7,9-10,12,17H,3-4,8,11,13H2,1-2H3,(H,20,22)
• InChIKey: OWHJTVYFLRNZGV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-methyl-1-{[3-(5-methylfuran-2-yl)phenyl]methyl}piperidine-2-carboxamide
• IUPAC Traditional name: N-methyl-1-{[3-(5-methylfuran-2-yl)phenyl]methyl}piperidine-2-carboxamide
• Synonyms: N-methyl-1-[3-(5-methyl-2-furyl)benzyl]piperidine-2-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.47281
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 0.60783404
• LogD (pH = 7.4): 2.3100278
• Log P: 2.7787151
• Molar Refractivity: 91.9683 cm^3
• Polarizability: 36.66547 Å^3
• Polar Surface Area: 45.48 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 2.68
• LOG S: -3.77
• Polar Surface Area: 45.48 Å^2
• Rotatable Bonds: 4