N-[(5-methylpyrazin-2-yl)methyl]-3-[2-oxo-2-(piperidin-1-yl)ethoxy]benzamide

• ChemBase ID: 569868
• Molecular Formular: C20H24N4O3
• Molecular Mass: 368.42956
• Monoisotopic Mass: 368.18484065
• SMILES: N1(C(=O)COc2cc(C(=O)NCc3ncc(nc3)C)ccc2)CCCCC1
• Canonical SMILES: O=C(N1CCCCC1)COc1cccc(c1)C(=O)NCc1cnc(cn1)C
• InChI: InChI=1S/C20H24N4O3/c1-15-11-22-17(12-21-15)13-23-20(26)16-6-5-7-18(10-16)27-14-19(25)24-8-3-2-4-9-24/h5-7,10-12H,2-4,8-9,13-14H2,1H3,(H,23,26)
• InChIKey: FTOFZKNZQQSGQR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[(5-methylpyrazin-2-yl)methyl]-3-[2-oxo-2-(piperidin-1-yl)ethoxy]benzamide
• IUPAC Traditional name: N-[(5-methylpyrazin-2-yl)methyl]-3-[2-oxo-2-(piperidin-1-yl)ethoxy]benzamide
• Synonyms: N-[(5-methyl-2-pyrazinyl)methyl]-3-[2-oxo-2-(1-piperidinyl)ethoxy]benzamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.383725
• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): 0.36060497
• LogD (pH = 7.4): 0.36061996
• Log P: 0.3606202
• Molar Refractivity: 100.7066 cm^3
• Polarizability: 38.632656 Å^3
• Polar Surface Area: 84.42 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 1
• Log P: 1.18
• LOG S: -3.94
• Polar Surface Area: 84.42 Å^2
• Rotatable Bonds: 6