N-[1-(2-phenylethyl)piperidin-4-yl]-N-(pyrazin-2-yl)furan-2-carboxamide

• ChemBase ID: 128413
• Molecular Formular: C22H24N4O2
• Molecular Mass: 376.45156
• Monoisotopic Mass: 376.18992603
• SMILES: C1CN(CCC1N(c1nccnc1)C(=O)c1ccco1)CCc1ccccc1
• Canonical SMILES: O=C(N(c1cnccn1)C1CCN(CC1)CCc1ccccc1)c1ccco1
• InChI: InChI=1S/C22H24N4O2/c27-22(20-7-4-16-28-20)26(21-17-23-11-12-24-21)19-9-14-25(15-10-19)13-8-18-5-2-1-3-6-18/h1-7,11-12,16-17,19H,8-10,13-15H2
• InChIKey: BJZZDOLVVLWFHN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[1-(2-phenylethyl)piperidin-4-yl]-N-(pyrazin-2-yl)furan-2-carboxamide
• IUPAC Traditional name: mirfentanil
• Synonyms: MS-32, NIH-10647; Mirfentanil

Database IDs

• CAS Number: 117523-47-4
• PubChem SID: 162222720
• PubChem CID: 60698
• Wikipedia Title: Mirfentanil

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): -0.6219569
• LogD (pH = 7.4): 1.1405628
• Log P: 2.1884964
• Molar Refractivity: 107.9167 cm^3
• Polarizability: 41.22483 Å^3
• Polar Surface Area: 62.47 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true