N-(pyrazin-2-yl)piperidine-4-carboxamide

• ChemBase ID: 260502
• Molecular Formular: C10H14N4O
• Molecular Mass: 206.24436
• Monoisotopic Mass: 206.11676109
• SMILES: C(=O)(Nc1nccnc1)C1CCNCC1
• Canonical SMILES: O=C(C1CCNCC1)Nc1nccnc1
• InChI: InChI=1S/C10H14N4O/c15-10(8-1-3-11-4-2-8)14-9-7-12-5-6-13-9/h5-8,11H,1-4H2,(H,13,14,15)
• InChIKey: NIKIYFNVBTVJLQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(pyrazin-2-yl)piperidine-4-carboxamide
• IUPAC Traditional name: N-(pyrazin-2-yl)piperidine-4-carboxamide
• Synonyms: N-(pyrazin-2-yl)piperidine-4-carboxamide

Database IDs

• MDL Number: MFCD12091012
• PubChem SID: 164316412
• PubChem CID: 43616167

CALCULATED PROPERTIES

• Acid pKa: 11.526081
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): -3.7522998
• LogD (pH = 7.4): -3.1673763
• Log P: -0.696291
• Molar Refractivity: 57.3523 cm^3
• Polarizability: 21.59603 Å^3
• Polar Surface Area: 66.91 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 131 - 133°C
• Hydrophobicity(logP): -0.563

Product Information

• Purity: 95%