N-methyl-4-[3-(pyrazin-2-yl)propyl]piperidine-4-carboxamide hydrochloride

• ChemBase ID: 62173
• Molecular Formular: C14H23ClN4O
• Molecular Mass: 298.81162
• Monoisotopic Mass: 298.15603906
• SMILES: C(=O)(C1(CCCc2nccnc2)CCNCC1)NC.Cl
• Canonical SMILES: CNC(=O)C1(CCCc2cnccn2)CCNCC1.Cl
• InChI: InChI=1S/C14H22N4O.ClH/c1-15-13(19)14(5-7-16-8-6-14)4-2-3-12-11-17-9-10-18-12;/h9-11,16H,2-8H2,1H3,(H,15,19);1H
• InChIKey: DQZIVPJQIHSHHA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-methyl-4-[3-(pyrazin-2-yl)propyl]piperidine-4-carboxamide hydrochloride
• IUPAC Traditional name: N-methyl-4-[3-(pyrazin-2-yl)propyl]piperidine-4-carboxamide hydrochloride
• Synonyms: 4-(3-Pyrazin-2-yl-propyl)-piperidine-4-carboxylic acid methylamide hydrochloride

Database IDs

• MDL Number: MFCD21605815
• PubChem SID: 162027912
• PubChem CID: 71298565

CALCULATED PROPERTIES

• Acid pKa: 15.521135
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): -3.465848
• LogD (pH = 7.4): -2.8606107
• Log P: -0.24093899
• Molar Refractivity: 73.4556 cm^3
• Polarizability: 28.880844 Å^3
• Polar Surface Area: 66.91 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false