3-(furan-2-yl)-N-[1-(2-phenylethyl)piperidin-3-yl]propanamide

• ChemBase ID: 722969
• Molecular Formular: C20H26N2O2
• Molecular Mass: 326.43264
• Monoisotopic Mass: 326.19942808
• SMILES: N1(CC(NC(=O)CCc2occc2)CCC1)CCc1ccccc1
• Canonical SMILES: O=C(NC1CCCN(C1)CCc1ccccc1)CCc1ccco1
• InChI: InChI=1S/C20H26N2O2/c23-20(11-10-19-9-5-15-24-19)21-18-8-4-13-22(16-18)14-12-17-6-2-1-3-7-17/h1-3,5-7,9,15,18H,4,8,10-14,16H2,(H,21,23)
• InChIKey: HPJQFRGJHTUXGU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-(furan-2-yl)-N-[1-(2-phenylethyl)piperidin-3-yl]propanamide
• IUPAC Traditional name: 3-(furan-2-yl)-N-[1-(2-phenylethyl)piperidin-3-yl]propanamide
• Synonyms: 3-(2-furyl)-N-[1-(2-phenylethyl)-3-piperidinyl]propanamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.511784
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 0.022623578
• LogD (pH = 7.4): 1.778547
• Log P: 2.8739789
• Molar Refractivity: 95.8283 cm^3
• Polarizability: 37.132927 Å^3
• Polar Surface Area: 45.48 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 3.35
• LOG S: -3.45
• Polar Surface Area: 45.48 Å^2
• Rotatable Bonds: 7