2-(2-methoxyphenoxy)-N-{[1-(pyrazine-2-carbonyl)piperidin-3-yl]methyl}acetamide

• ChemBase ID: 705321
• Molecular Formular: C20H24N4O4
• Molecular Mass: 384.42896
• Monoisotopic Mass: 384.17975527
• SMILES: N1(C(=O)c2nccnc2)CC(CNC(=O)COc2c(OC)cccc2)CCC1
• Canonical SMILES: COc1ccccc1OCC(=O)NCC1CCCN(C1)C(=O)c1cnccn1
• InChI: InChI=1S/C20H24N4O4/c1-27-17-6-2-3-7-18(17)28-14-19(25)23-11-15-5-4-10-24(13-15)20(26)16-12-21-8-9-22-16/h2-3,6-9,12,15H,4-5,10-11,13-14H2,1H3,(H,23,25)
• InChIKey: PDSLXNCOQMVMON-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(2-methoxyphenoxy)-N-{[1-(pyrazine-2-carbonyl)piperidin-3-yl]methyl}acetamide
• IUPAC Traditional name: 2-(2-methoxyphenoxy)-N-{[1-(pyrazine-2-carbonyl)piperidin-3-yl]methyl}acetamide
• Synonyms: 2-(2-methoxyphenoxy)-N-{[1-(pyrazin-2-ylcarbonyl)piperidin-3-yl]methyl}acetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.525346
• H Acceptors: 6
• H Donor: 1
• LogD (pH = 5.5): 0.11315765
• LogD (pH = 7.4): 0.11315786
• Log P: 0.1131579
• Molar Refractivity: 102.2141 cm^3
• Polarizability: 39.42366 Å^3
• Polar Surface Area: 93.65 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 6
• H Donor: 1
• Log P: 0.22
• LOG S: -3.5
• Polar Surface Area: 93.65 Å^2
• Rotatable Bonds: 7