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

• ChemBase ID: 567795
• Molecular Formular: C21H28N2O2
• Molecular Mass: 340.45922
• Monoisotopic Mass: 340.21507815
• SMILES: N(C(=O)CCc1occc1)(C1CN(CCc2ccccc2)CCC1)C
• Canonical SMILES: O=C(N(C1CCCN(C1)CCc1ccccc1)C)CCc1ccco1
• InChI: InChI=1S/C21H28N2O2/c1-22(21(24)12-11-20-10-6-16-25-20)19-9-5-14-23(17-19)15-13-18-7-3-2-4-8-18/h2-4,6-8,10,16,19H,5,9,11-15,17H2,1H3
• InChIKey: FUTKDFFRVQZCFV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 0.10449638
• LogD (pH = 7.4): 1.8225104
• Log P: 3.0976548
• Molar Refractivity: 100.725 cm^3
• Polarizability: 38.97654 Å^3
• Polar Surface Area: 36.69 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 3.73
• LOG S: -3.0
• Polar Surface Area: 36.69 Å^2
• Rotatable Bonds: 7