N-[(3R,4R)-3-hydroxypiperidin-4-yl]quinoline-6-carboxamide

• ChemBase ID: 665857
• Molecular Formular: C15H17N3O2
• Molecular Mass: 271.31438
• Monoisotopic Mass: 271.1320768
• SMILES: C(=O)(N[C@H]1[C@H](O)CNCC1)c1cc2c(nccc2)cc1
• Canonical SMILES: O[C@@H]1CNCC[C@H]1NC(=O)c1ccc2c(c1)cccn2
• InChI: InChI=1S/C15H17N3O2/c19-14-9-16-7-5-13(14)18-15(20)11-3-4-12-10(8-11)2-1-6-17-12/h1-4,6,8,13-14,16,19H,5,7,9H2,(H,18,20)/t13-,14-/m1/s1
• InChIKey: BKMIWTIVWVGENZ-ZIAGYGMSSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[(3R,4R)-3-hydroxypiperidin-4-yl]quinoline-6-carboxamide
• IUPAC Traditional name: N-[(3R,4R)-3-hydroxypiperidin-4-yl]quinoline-6-carboxamide
• Synonyms: N-[(3R*,4R*)-3-hydroxypiperidin-4-yl]quinoline-6-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.174575
• H Acceptors: 4
• H Donor: 3
• LogD (pH = 5.5): -3.0120075
• LogD (pH = 7.4): -1.8292822
• Log P: 0.15868033
• Molar Refractivity: 75.2079 cm^3
• Polarizability: 30.399786 Å^3
• Polar Surface Area: 74.25 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 3
• Log P: -0.12
• LOG S: -2.39
• Polar Surface Area: 74.25 Å^2
• Rotatable Bonds: 2