N-(2,3-dihydro-1H-inden-2-yl)-6-oxo-1-(3-phenylpropyl)piperidine-3-carboxamide

• ChemBase ID: 490547
• Molecular Formular: C24H28N2O2
• Molecular Mass: 376.49132
• Monoisotopic Mass: 376.21507815
• SMILES: N1(C(=O)CCC(C(=O)NC2Cc3c(C2)cccc3)C1)CCCc1ccccc1
• Canonical SMILES: O=C(C1CCC(=O)N(C1)CCCc1ccccc1)NC1Cc2c(C1)cccc2
• InChI: InChI=1S/C24H28N2O2/c27-23-13-12-21(17-26(23)14-6-9-18-7-2-1-3-8-18)24(28)25-22-15-19-10-4-5-11-20(19)16-22/h1-5,7-8,10-11,21-22H,6,9,12-17H2,(H,25,28)
• InChIKey: KDOIGMLHJQHJHV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(2,3-dihydro-1H-inden-2-yl)-6-oxo-1-(3-phenylpropyl)piperidine-3-carboxamide
• IUPAC Traditional name: N-(2,3-dihydro-1H-inden-2-yl)-6-oxo-1-(3-phenylpropyl)piperidine-3-carboxamide
• Synonyms: N-(2,3-dihydro-1H-inden-2-yl)-6-oxo-1-(3-phenylpropyl)-3-piperidinecarboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.612886
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 3.4545135
• LogD (pH = 7.4): 3.4545138
• Log P: 3.4545138
• Molar Refractivity: 110.8764 cm^3
• Polarizability: 42.984974 Å^3
• Polar Surface Area: 49.41 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 1
• Log P: 3.25
• LOG S: -5.03
• Polar Surface Area: 49.41 Å^2
• Rotatable Bonds: 6