N-cyclopropyl-3-[1-(furan-3-ylmethyl)piperidin-3-yl]propanamide

• ChemBase ID: 350422
• Molecular Formular: C16H24N2O2
• Molecular Mass: 276.37396
• Monoisotopic Mass: 276.18377802
• SMILES: N1(Cc2cocc2)CC(CCC(=O)NC2CC2)CCC1
• Canonical SMILES: O=C(NC1CC1)CCC1CCCN(C1)Cc1cocc1
• InChI: InChI=1S/C16H24N2O2/c19-16(17-15-4-5-15)6-3-13-2-1-8-18(10-13)11-14-7-9-20-12-14/h7,9,12-13,15H,1-6,8,10-11H2,(H,17,19)
• InChIKey: HSJIEFVNPYZTFV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-cyclopropyl-3-[1-(furan-3-ylmethyl)piperidin-3-yl]propanamide
• IUPAC Traditional name: N-cyclopropyl-3-[1-(furan-3-ylmethyl)piperidin-3-yl]propanamide
• Synonyms: N-cyclopropyl-3-[1-(3-furylmethyl)-3-piperidinyl]propanamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.36814
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.1410882
• LogD (pH = 7.4): 0.61274016
• Log P: 1.7214206
• Molar Refractivity: 78.5252 cm^3
• Polarizability: 30.56463 Å^3
• Polar Surface Area: 45.48 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 1.45
• LOG S: -2.01
• Polar Surface Area: 45.48 Å^2
• Rotatable Bonds: 6