5-[3-(piperidine-1-carbonyl)pyridin-2-yl]quinoline

• ChemBase ID: 722254
• Molecular Formular: C20H19N3O
• Molecular Mass: 317.38436
• Monoisotopic Mass: 317.15281224
• SMILES: c1(C(=O)N2CCCCC2)c(c2c3c(nccc3)ccc2)nccc1
• Canonical SMILES: O=C(c1cccnc1c1cccc2c1cccn2)N1CCCCC1
• InChI: InChI=1S/C20H19N3O/c24-20(23-13-2-1-3-14-23)17-9-6-12-22-19(17)16-7-4-10-18-15(16)8-5-11-21-18/h4-12H,1-3,13-14H2
• InChIKey: VBHXFBYUQSEQEI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-[3-(piperidine-1-carbonyl)pyridin-2-yl]quinoline
• IUPAC Traditional name: 5-[3-(piperidine-1-carbonyl)pyridin-2-yl]quinoline
• Synonyms: 5-[3-(piperidin-1-ylcarbonyl)pyridin-2-yl]quinoline

CALCULATED PROPERTIES

JChem

• Molar Refractivity: 93.6004 cm^3
• Polarizability: 38.40068 Å^3
• Polar Surface Area: 46.09 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true
• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 3.071938
• LogD (pH = 7.4): 3.094369
• Log P: 3.0946622

供应商提供(Chembridge)

• Polar Surface Area: 46.09 Å^2
• Rotatable Bonds: 2
• H Acceptors: 3
• H Donor: 0
• Log P: 2.68
• LOG S: -3.81