N-(furan-2-ylmethyl)-2-(piperidin-1-yl)-2,3-dihydro-1H-indene-2-carboxamide

• ChemBase ID: 657804
• Molecular Formular: C20H24N2O2
• Molecular Mass: 324.41676
• Monoisotopic Mass: 324.18377802
• SMILES: C1(C(=O)NCc2occc2)(N2CCCCC2)Cc2c(C1)cccc2
• Canonical SMILES: O=C(C1(Cc2c(C1)cccc2)N1CCCCC1)NCc1ccco1
• InChI: InChI=1S/C20H24N2O2/c23-19(21-15-18-9-6-12-24-18)20(22-10-4-1-5-11-22)13-16-7-2-3-8-17(16)14-20/h2-3,6-9,12H,1,4-5,10-11,13-15H2,(H,21,23)
• InChIKey: MTEWEHQZYWPNLO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(furan-2-ylmethyl)-2-(piperidin-1-yl)-2,3-dihydro-1H-indene-2-carboxamide
• IUPAC Traditional name: N-(furan-2-ylmethyl)-2-(piperidin-1-yl)-1,3-dihydroindene-2-carboxamide
• Synonyms: N-(2-furylmethyl)-2-(1-piperidinyl)-2-indanecarboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.23777
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 0.66163486
• LogD (pH = 7.4): 2.4165092
• Log P: 3.0609093
• Molar Refractivity: 94.3243 cm^3
• Polarizability: 36.47367 Å^3
• Polar Surface Area: 45.48 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 3.25
• LOG S: -4.34
• Polar Surface Area: 45.48 Å^2
• Rotatable Bonds: 4