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

• ChemBase ID: 400031
• Molecular Formular: C22H28N2O2
• Molecular Mass: 352.46992
• Monoisotopic Mass: 352.21507815
• SMILES: N1(C2Cc3c(C2)cccc3)CC(N(C(=O)CCc2occc2)C)CCC1
• Canonical SMILES: CN(C(=O)CCc1ccco1)C1CCCN(C1)C1Cc2c(C1)cccc2
• InChI: InChI=1S/C22H28N2O2/c1-23(22(25)11-10-21-9-5-13-26-21)19-8-4-12-24(16-19)20-14-17-6-2-3-7-18(17)15-20/h2-3,5-7,9,13,19-20H,4,8,10-12,14-16H2,1H3
• InChIKey: ZNIPDXDNBJHAFY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]-3-(furan-2-yl)-N-methylpropanamide
• IUPAC Traditional name: N-[1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]-3-(furan-2-yl)-N-methylpropanamide
• Synonyms: N-[1-(2,3-dihydro-1H-inden-2-yl)-3-piperidinyl]-3-(2-furyl)-N-methylpropanamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 0.025043769
• LogD (pH = 7.4): 1.6433241
• Log P: 3.1973104
• Molar Refractivity: 103.7048 cm^3
• Polarizability: 40.00754 Å^3
• Polar Surface Area: 36.69 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 3.53
• LOG S: -3.48
• Polar Surface Area: 36.69 Å^2
• Rotatable Bonds: 5