2-(furan-2-yl)-2-oxo-N-[1-(pyrazin-2-yl)piperidin-3-yl]acetamide

• ChemBase ID: 702211
• Molecular Formular: C15H16N4O3
• Molecular Mass: 300.31254
• Monoisotopic Mass: 300.12224039
• SMILES: C(=O)(C(=O)NC1CN(c2nccnc2)CCC1)c1occc1
• Canonical SMILES: O=C(C(=O)c1ccco1)NC1CCCN(C1)c1cnccn1
• InChI: InChI=1S/C15H16N4O3/c20-14(12-4-2-8-22-12)15(21)18-11-3-1-7-19(10-11)13-9-16-5-6-17-13/h2,4-6,8-9,11H,1,3,7,10H2,(H,18,21)
• InChIKey: GFHIBCPZPHOMIX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(furan-2-yl)-2-oxo-N-[1-(pyrazin-2-yl)piperidin-3-yl]acetamide
• IUPAC Traditional name: 2-(furan-2-yl)-2-oxo-N-[1-(pyrazin-2-yl)piperidin-3-yl]acetamide
• Synonyms: 2-(2-furyl)-2-oxo-N-(1-pyrazin-2-ylpiperidin-3-yl)acetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 11.402375
• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): 0.5017991
• LogD (pH = 7.4): 0.50186986
• Log P: 0.5019095
• Molar Refractivity: 79.094 cm^3
• Polarizability: 29.631794 Å^3
• Polar Surface Area: 88.33 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 1
• Log P: 0.0
• LOG S: -2.7
• Polar Surface Area: 88.33 Å^2
• Rotatable Bonds: 4