1-(8-hydroxyquinolin-2-yl)piperidine-4-carboxamide

• ChemBase ID: 117227
• Molecular Formular: C15H17N3O2
• Molecular Mass: 271.31438
• Monoisotopic Mass: 271.1320768
• SMILES: n1c(N2CCC(C(=O)N)CC2)ccc2c1c(O)ccc2
• Canonical SMILES: NC(=O)C1CCN(CC1)c1ccc2c(n1)c(O)ccc2
• InChI: InChI=1S/C15H17N3O2/c16-15(20)11-6-8-18(9-7-11)13-5-4-10-2-1-3-12(19)14(10)17-13/h1-5,11,19H,6-9H2,(H2,16,20)
• InChIKey: NGGDOPGMIFFQPX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(8-hydroxyquinolin-2-yl)piperidine-4-carboxamide
• IUPAC Traditional name: 1-(8-hydroxyquinolin-2-yl)piperidine-4-carboxamide
• Synonyms: 1-(8-Hydroxyquinolin-2-yl)piperidine-4-carboxamide

Database IDs

• MDL Number: MFCD09240615
• PubChem SID: 162089402
• PubChem CID: 16835892

CALCULATED PROPERTIES

• Acid pKa: 9.327891
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): 1.2059212
• LogD (pH = 7.4): 1.7650926
• Log P: 1.7960045
• Molar Refractivity: 76.9064 cm^3
• Polarizability: 30.211765 Å^3
• Polar Surface Area: 79.45 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Partition Coefficient: 0.504

Product Information

• Purity: 95+%