4-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-N-(quinolin-8-yl)piperidine-1-carboxamide

• ChemBase ID: 756394
• Molecular Formular: C19H21N5O2
• Molecular Mass: 351.40234
• Monoisotopic Mass: 351.16952494
• SMILES: C(=O)(N1CCC(Cc2nc(no2)C)CC1)Nc1c2ncccc2ccc1
• Canonical SMILES: O=C(N1CCC(CC1)Cc1onc(n1)C)Nc1cccc2c1nccc2
• InChI: InChI=1S/C19H21N5O2/c1-13-21-17(26-23-13)12-14-7-10-24(11-8-14)19(25)22-16-6-2-4-15-5-3-9-20-18(15)16/h2-6,9,14H,7-8,10-12H2,1H3,(H,22,25)
• InChIKey: XHDNAHUAFCYTTN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-N-(quinolin-8-yl)piperidine-1-carboxamide
• IUPAC Traditional name: 4-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-N-(quinolin-8-yl)piperidine-1-carboxamide
• Synonyms: 4-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-N-quinolin-8-ylpiperidine-1-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 11.772109
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 2.6050575
• LogD (pH = 7.4): 2.6081462
• Log P: 2.608204
• Molar Refractivity: 99.3649 cm^3
• Polarizability: 37.82461 Å^3
• Polar Surface Area: 84.15 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 1
• Log P: 2.23
• LOG S: -3.67
• Polar Surface Area: 84.15 Å^2
• Rotatable Bonds: 3