1-{1-[2-(pyrazin-2-yl)acetyl]piperidin-4-yl}pyrrolidin-2-one

• ChemBase ID: 753970
• Molecular Formular: C15H20N4O2
• Molecular Mass: 288.3449
• Monoisotopic Mass: 288.1586259
• SMILES: N1(C(=O)CCC1)C1CCN(C(=O)Cc2nccnc2)CC1
• Canonical SMILES: O=C(N1CCC(CC1)N1CCCC1=O)Cc1cnccn1
• InChI: InChI=1S/C15H20N4O2/c20-14-2-1-7-19(14)13-3-8-18(9-4-13)15(21)10-12-11-16-5-6-17-12/h5-6,11,13H,1-4,7-10H2
• InChIKey: CRRMNSLCSSRZJN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-{1-[2-(pyrazin-2-yl)acetyl]piperidin-4-yl}pyrrolidin-2-one
• IUPAC Traditional name: 1-{1-[2-(pyrazin-2-yl)acetyl]piperidin-4-yl}pyrrolidin-2-one
• Synonyms: 1-[1-(pyrazin-2-ylacetyl)piperidin-4-yl]pyrrolidin-2-one

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): -1.3173912
• LogD (pH = 7.4): -1.3173876
• Log P: -1.3173875
• Molar Refractivity: 76.913 cm^3
• Polarizability: 29.782104 Å^3
• Polar Surface Area: 66.4 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: -1.18
• LOG S: -1.6
• Polar Surface Area: 66.4 Å^2
• Rotatable Bonds: 3