N-(pyrazin-2-yl)piperidine-3-carboxamide

• ChemBase ID: 260436
• Molecular Formular: C10H14N4O
• Molecular Mass: 206.24436
• Monoisotopic Mass: 206.11676109
• SMILES: C(=O)(Nc1nccnc1)C1CNCCC1
• Canonical SMILES: O=C(C1CCCNC1)Nc1cnccn1
• InChI: InChI=1S/C10H14N4O/c15-10(8-2-1-3-11-6-8)14-9-7-12-4-5-13-9/h4-5,7-8,11H,1-3,6H2,(H,13,14,15)
• InChIKey: LGLBRQZEJRAMAB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(pyrazin-2-yl)piperidine-3-carboxamide
• IUPAC Traditional name: N-(pyrazin-2-yl)piperidine-3-carboxamide
• Synonyms: N-(pyrazin-2-yl)piperidine-3-carboxamide

Database IDs

• MDL Number: MFCD12091013
• PubChem SID: 164316346
• PubChem CID: 43616168

CALCULATED PROPERTIES

• Acid pKa: 11.496104
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): -3.556389
• LogD (pH = 7.4): -2.5376384
• Log P: -0.50294113
• Molar Refractivity: 57.1983 cm^3
• Polarizability: 21.596025 Å^3
• Polar Surface Area: 66.91 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 141 - 143°C
• Hydrophobicity(logP): 0.191

Product Information

• Purity: 95%