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

• ChemBase ID: 404508
• Molecular Formular: C18H22N2O2
• Molecular Mass: 298.37948
• Monoisotopic Mass: 298.16812795
• SMILES: c1(C(=O)NC2CN(CCc3ccccc3)CCC2)cocc1
• Canonical SMILES: O=C(c1cocc1)NC1CCCN(C1)CCc1ccccc1
• InChI: InChI=1S/C18H22N2O2/c21-18(16-9-12-22-14-16)19-17-7-4-10-20(13-17)11-8-15-5-2-1-3-6-15/h1-3,5-6,9,12,14,17H,4,7-8,10-11,13H2,(H,19,21)
• InChIKey: TUFSJEQFHLWOCQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.136535
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 0.12498647
• LogD (pH = 7.4): 1.897008
• Log P: 2.685151
• Molar Refractivity: 87.1444 cm^3
• Polarizability: 33.233128 Å^3
• Polar Surface Area: 45.48 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 2.98
• LOG S: -3.15
• Polar Surface Area: 45.48 Å^2
• Rotatable Bonds: 5