N-methyl-1-[(1-methyl-2-oxo-1,2-dihydroquinolin-3-yl)methyl]piperidine-2-carboxamide

• ChemBase ID: 409032
• Molecular Formular: C18H23N3O2
• Molecular Mass: 313.39412
• Monoisotopic Mass: 313.17902699
• SMILES: c1(c(=O)n(c2c(c1)cccc2)C)CN1C(C(=O)NC)CCCC1
• Canonical SMILES: CNC(=O)C1CCCCN1Cc1cc2ccccc2n(c1=O)C
• InChI: InChI=1S/C18H23N3O2/c1-19-17(22)16-9-5-6-10-21(16)12-14-11-13-7-3-4-8-15(13)20(2)18(14)23/h3-4,7-8,11,16H,5-6,9-10,12H2,1-2H3,(H,19,22)
• InChIKey: AMFPFNNDAREDEE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-methyl-1-[(1-methyl-2-oxo-1,2-dihydroquinolin-3-yl)methyl]piperidine-2-carboxamide
• IUPAC Traditional name: N-methyl-1-[(1-methyl-2-oxoquinolin-3-yl)methyl]piperidine-2-carboxamide
• Synonyms: N-methyl-1-[(1-methyl-2-oxo-1,2-dihydroquinolin-3-yl)methyl]piperidine-2-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.531576
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -0.7046976
• LogD (pH = 7.4): 0.9131635
• Log P: 1.2417735
• Molar Refractivity: 90.9445 cm^3
• Polarizability: 34.72902 Å^3
• Polar Surface Area: 52.65 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: 1.56
• LOG S: -2.82
• Polar Surface Area: 54.34 Å^2
• Rotatable Bonds: 3