N-phenyl-N-[4-phenyl-1-(2-phenylethyl)piperidin-4-yl]propanamide

• ChemBase ID: 125455
• Molecular Formular: C28H32N2O
• Molecular Mass: 412.56648
• Monoisotopic Mass: 412.25146365
• SMILES: c1ccccc1CCN1CCC(CC1)(c1ccccc1)N(C(=O)CC)c1ccccc1
• Canonical SMILES: CCC(=O)N(C1(CCN(CC1)CCc1ccccc1)c1ccccc1)c1ccccc1
• InChI: InChI=1S/C28H32N2O/c1-2-27(31)30(26-16-10-5-11-17-26)28(25-14-8-4-9-15-25)19-22-29(23-20-28)21-18-24-12-6-3-7-13-24/h3-17H,2,18-23H2,1H3
• InChIKey: BXCJXJLHYMWMQU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-phenyl-N-[4-phenyl-1-(2-phenylethyl)piperidin-4-yl]propanamide
• IUPAC Traditional name: 4-phenylfentanyl
• Synonyms: 4-Phenylfentanyl; 4-Phenylfentanyl

Database IDs

• PubChem SID: 162219805
• PubChem CID: 10319503
• Wikipedia Title: 4-Phenylfentanyl

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 2.238832
• LogD (pH = 7.4): 3.8085625
• Log P: 5.4637403
• Molar Refractivity: 127.9847 cm^3
• Polarizability: 49.930687 Å^3
• Polar Surface Area: 23.55 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: false