1-benzyl-N-[2-(pyrazin-2-yl)ethyl]piperidine-2-carboxamide

• ChemBase ID: 723073
• Molecular Formular: C19H24N4O
• Molecular Mass: 324.42006
• Monoisotopic Mass: 324.19501141
• SMILES: N1(C(C(=O)NCCc2nccnc2)CCCC1)Cc1ccccc1
• Canonical SMILES: O=C(C1CCCCN1Cc1ccccc1)NCCc1cnccn1
• InChI: InChI=1S/C19H24N4O/c24-19(22-10-9-17-14-20-11-12-21-17)18-8-4-5-13-23(18)15-16-6-2-1-3-7-16/h1-3,6-7,11-12,14,18H,4-5,8-10,13,15H2,(H,22,24)
• InChIKey: UGXRELVWVQJXTD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-benzyl-N-[2-(pyrazin-2-yl)ethyl]piperidine-2-carboxamide
• IUPAC Traditional name: 1-benzyl-N-[2-(pyrazin-2-yl)ethyl]piperidine-2-carboxamide
• Synonyms: 1-benzyl-N-[2-(2-pyrazinyl)ethyl]-2-piperidinecarboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.1914215
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -0.8036414
• LogD (pH = 7.4): 0.92854524
• Log P: 1.4792947
• Molar Refractivity: 93.7675 cm^3
• Polarizability: 36.708733 Å^3
• Polar Surface Area: 58.12 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 1.91
• LOG S: -2.66
• Polar Surface Area: 58.12 Å^2
• Rotatable Bonds: 6