N-{[1-(4-methylpiperazin-1-yl)cyclopentyl]methyl}-2-(2-oxo-1,2-dihydropyridin-1-yl)acetamide

• ChemBase ID: 819284
• Molecular Formular: C18H28N4O2
• Molecular Mass: 332.44052
• Monoisotopic Mass: 332.22122616
• SMILES: n1(c(=O)cccc1)CC(=O)NCC1(N2CCN(CC2)C)CCCC1
• Canonical SMILES: CN1CCN(CC1)C1(CCCC1)CNC(=O)Cn1ccccc1=O
• InChI: InChI=1S/C18H28N4O2/c1-20-10-12-22(13-11-20)18(7-3-4-8-18)15-19-16(23)14-21-9-5-2-6-17(21)24/h2,5-6,9H,3-4,7-8,10-15H2,1H3,(H,19,23)
• InChIKey: GUGLHPAKVBYSFM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-{[1-(4-methylpiperazin-1-yl)cyclopentyl]methyl}-2-(2-oxo-1,2-dihydropyridin-1-yl)acetamide
• IUPAC Traditional name: N-{[1-(4-methylpiperazin-1-yl)cyclopentyl]methyl}-2-(2-oxopyridin-1-yl)acetamide
• Synonyms: N-{[1-(4-methylpiperazin-1-yl)cyclopentyl]methyl}-2-(2-oxopyridin-1(2H)-yl)acetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.597355
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -2.5987713
• LogD (pH = 7.4): -0.8471095
• Log P: 0.2794894
• Molar Refractivity: 96.1175 cm^3
• Polarizability: 36.684376 Å^3
• Polar Surface Area: 55.89 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: -0.67
• LOG S: -2.36
• Polar Surface Area: 57.58 Å^2
• Rotatable Bonds: 5