N-(2-oxo-1,2,3,4-tetrahydroquinolin-4-yl)-4-(piperidin-1-yl)butanamide

• ChemBase ID: 429763
• Molecular Formular: C18H25N3O2
• Molecular Mass: 315.41
• Monoisotopic Mass: 315.19467706
• SMILES: C1(CC(=O)Nc2c1cccc2)NC(=O)CCCN1CCCCC1
• Canonical SMILES: O=C(NC1CC(=O)Nc2c1cccc2)CCCN1CCCCC1
• InChI: InChI=1S/C18H25N3O2/c22-17(9-6-12-21-10-4-1-5-11-21)20-16-13-18(23)19-15-8-3-2-7-14(15)16/h2-3,7-8,16H,1,4-6,9-13H2,(H,19,23)(H,20,22)
• InChIKey: MUWSVSRKYAWPLZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(2-oxo-1,2,3,4-tetrahydroquinolin-4-yl)-4-(piperidin-1-yl)butanamide
• IUPAC Traditional name: N-(2-oxo-3,4-dihydro-1H-quinolin-4-yl)-4-(piperidin-1-yl)butanamide
• Synonyms: N-(2-oxo-1,2,3,4-tetrahydro-4-quinolinyl)-4-(1-piperidinyl)butanamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.521339
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -1.9643505
• LogD (pH = 7.4): -0.68057203
• Log P: 1.4212186
• Molar Refractivity: 91.6741 cm^3
• Polarizability: 34.895653 Å^3
• Polar Surface Area: 61.44 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 2
• Log P: 2.11
• LOG S: -3.3
• Polar Surface Area: 61.44 Å^2
• Rotatable Bonds: 5