N-(2,3-dihydro-1H-inden-4-yl)-2-(2-hydroxyethyl)piperidine-1-carboxamide

• ChemBase ID: 735954
• Molecular Formular: C17H24N2O2
• Molecular Mass: 288.38466
• Monoisotopic Mass: 288.18377802
• SMILES: C(=O)(N1C(CCO)CCCC1)Nc1c2c(CCC2)ccc1
• Canonical SMILES: OCCC1CCCCN1C(=O)Nc1cccc2c1CCC2
• InChI: InChI=1S/C17H24N2O2/c20-12-10-14-7-1-2-11-19(14)17(21)18-16-9-4-6-13-5-3-8-15(13)16/h4,6,9,14,20H,1-3,5,7-8,10-12H2,(H,18,21)
• InChIKey: BWALYIRKZWTVCC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(2,3-dihydro-1H-inden-4-yl)-2-(2-hydroxyethyl)piperidine-1-carboxamide
• IUPAC Traditional name: N-(2,3-dihydro-1H-inden-4-yl)-2-(2-hydroxyethyl)piperidine-1-carboxamide
• Synonyms: N-(2,3-dihydro-1H-inden-4-yl)-2-(2-hydroxyethyl)piperidine-1-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.490008
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 2.6124392
• LogD (pH = 7.4): 2.612439
• Log P: 2.6124392
• Molar Refractivity: 85.2422 cm^3
• Polarizability: 31.922277 Å^3
• Polar Surface Area: 52.57 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 2
• Log P: 2.35
• LOG S: -3.31
• Polar Surface Area: 52.57 Å^2
• Rotatable Bonds: 3