2-(2,3-dihydro-1H-inden-1-yl)-N-[1-(furan-2-carbonyl)piperidin-4-yl]acetamide

• ChemBase ID: 483977
• Molecular Formular: C21H24N2O3
• Molecular Mass: 352.42686
• Monoisotopic Mass: 352.17869264
• SMILES: C(=O)(N1CCC(NC(=O)CC2c3c(CC2)cccc3)CC1)c1occc1
• Canonical SMILES: O=C(CC1CCc2c1cccc2)NC1CCN(CC1)C(=O)c1ccco1
• InChI: InChI=1S/C21H24N2O3/c24-20(14-16-8-7-15-4-1-2-5-18(15)16)22-17-9-11-23(12-10-17)21(25)19-6-3-13-26-19/h1-6,13,16-17H,7-12,14H2,(H,22,24)
• InChIKey: PXCIWZHWFHVGJE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(2,3-dihydro-1H-inden-1-yl)-N-[1-(furan-2-carbonyl)piperidin-4-yl]acetamide
• IUPAC Traditional name: 2-(2,3-dihydro-1H-inden-1-yl)-N-[1-(furan-2-carbonyl)piperidin-4-yl]acetamide
• Synonyms: 2-(2,3-dihydro-1H-inden-1-yl)-N-[1-(2-furoyl)piperidin-4-yl]acetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.232762
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.9771321
• LogD (pH = 7.4): 1.9771323
• Log P: 1.9771323
• Molar Refractivity: 99.2568 cm^3
• Polarizability: 37.720657 Å^3
• Polar Surface Area: 62.55 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: 2.33
• LOG S: -3.76
• Polar Surface Area: 62.55 Å^2
• Rotatable Bonds: 4