N-benzyl-3-[1-(furan-3-carbonyl)piperidin-4-yl]-N-methylpropanamide

• ChemBase ID: 426431
• Molecular Formular: C21H26N2O3
• Molecular Mass: 354.44274
• Monoisotopic Mass: 354.1943427
• SMILES: C(=O)(c1cocc1)N1CCC(CCC(=O)N(Cc2ccccc2)C)CC1
• Canonical SMILES: O=C(N(Cc1ccccc1)C)CCC1CCN(CC1)C(=O)c1cocc1
• InChI: InChI=1S/C21H26N2O3/c1-22(15-18-5-3-2-4-6-18)20(24)8-7-17-9-12-23(13-10-17)21(25)19-11-14-26-16-19/h2-6,11,14,16-17H,7-10,12-13,15H2,1H3
• InChIKey: AOXUBIIPADDVAE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-benzyl-3-[1-(furan-3-carbonyl)piperidin-4-yl]-N-methylpropanamide
• IUPAC Traditional name: N-benzyl-3-[1-(furan-3-carbonyl)piperidin-4-yl]-N-methylpropanamide
• Synonyms: N-benzyl-3-[1-(3-furoyl)-4-piperidinyl]-N-methylpropanamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 2.482647
• LogD (pH = 7.4): 2.4826472
• Log P: 2.4826472
• Molar Refractivity: 101.2294 cm^3
• Polarizability: 38.51767 Å^3
• Polar Surface Area: 53.76 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 1.77
• LOG S: -3.72
• Polar Surface Area: 53.76 Å^2
• Rotatable Bonds: 6