1-cyclopentyl-N-(6-methylpyridin-3-yl)-6-oxopiperidine-3-carboxamide

• ChemBase ID: 657827
• Molecular Formular: C17H23N3O2
• Molecular Mass: 301.38342
• Monoisotopic Mass: 301.17902699
• SMILES: N1(CC(C(=O)Nc2cnc(cc2)C)CCC1=O)C1CCCC1
• Canonical SMILES: O=C(C1CCC(=O)N(C1)C1CCCC1)Nc1ccc(nc1)C
• InChI: InChI=1S/C17H23N3O2/c1-12-6-8-14(10-18-12)19-17(22)13-7-9-16(21)20(11-13)15-4-2-3-5-15/h6,8,10,13,15H,2-5,7,9,11H2,1H3,(H,19,22)
• InChIKey: FKFGPWWJXCYTLY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-cyclopentyl-N-(6-methylpyridin-3-yl)-6-oxopiperidine-3-carboxamide
• IUPAC Traditional name: 1-cyclopentyl-N-(6-methylpyridin-3-yl)-6-oxopiperidine-3-carboxamide
• Synonyms: 1-cyclopentyl-N-(6-methyl-3-pyridinyl)-6-oxo-3-piperidinecarboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 12.8235035
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 1.0555415
• LogD (pH = 7.4): 1.1683238
• Log P: 1.1699889
• Molar Refractivity: 84.9666 cm^3
• Polarizability: 32.40723 Å^3
• Polar Surface Area: 62.3 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 2.22
• LOG S: -3.29
• Polar Surface Area: 62.3 Å^2
• Rotatable Bonds: 3