4-[2-(2-oxo-1,2-dihydropyridin-1-yl)acetamido]-N-phenylpiperidine-1-carboxamide

• ChemBase ID: 681208
• Molecular Formular: C19H22N4O3
• Molecular Mass: 354.40298
• Monoisotopic Mass: 354.16919058
• SMILES: C(=O)(N1CCC(NC(=O)Cn2c(=O)cccc2)CC1)Nc1ccccc1
• Canonical SMILES: O=C(Cn1ccccc1=O)NC1CCN(CC1)C(=O)Nc1ccccc1
• InChI: InChI=1S/C19H22N4O3/c24-17(14-23-11-5-4-8-18(23)25)20-16-9-12-22(13-10-16)19(26)21-15-6-2-1-3-7-15/h1-8,11,16H,9-10,12-14H2,(H,20,24)(H,21,26)
• InChIKey: RVOMXIZFFGPLDM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-[2-(2-oxo-1,2-dihydropyridin-1-yl)acetamido]-N-phenylpiperidine-1-carboxamide
• IUPAC Traditional name: 4-[2-(2-oxopyridin-1-yl)acetamido]-N-phenylpiperidine-1-carboxamide
• Synonyms: 4-{[(2-oxopyridin-1(2H)-yl)acetyl]amino}-N-phenylpiperidine-1-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.416824
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 0.29665416
• LogD (pH = 7.4): 0.29665378
• Log P: 0.29665416
• Molar Refractivity: 100.5996 cm^3
• Polarizability: 37.097015 Å^3
• Polar Surface Area: 81.75 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 2
• Log P: -0.11
• LOG S: -3.0
• Polar Surface Area: 83.44 Å^2
• Rotatable Bonds: 4