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

• ChemBase ID: 159272
• Molecular Formular: C21H26N2O
• Molecular Mass: 322.44394
• Monoisotopic Mass: 322.20451346
• SMILES: C1CN(CCC1N(c1ccccc1)C(=O)C)CCc1ccccc1
• Canonical SMILES: CC(=O)N(c1ccccc1)C1CCN(CC1)CCc1ccccc1
• InChI: InChI=1S/C21H26N2O/c1-18(24)23(20-10-6-3-7-11-20)21-13-16-22(17-14-21)15-12-19-8-4-2-5-9-19/h2-11,21H,12-17H2,1H3
• InChIKey: FYIUUQUPOKIKNI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-phenyl-N-[1-(2-phenylethyl)piperidin-4-yl]acetamide
• IUPAC Traditional name: N-phenyl-N-[1-(2-phenylethyl)piperidin-4-yl]acetamide
• Synonyms: N-Phenyl-N-[1-(2-phenylethyl)-4-piperidinyl]acetamide; N-(1-Phenethyl-4-piperidylacetanilide; 1-Phenethyl-4-(N-phenylacetamido)piperidine; Acetyl Fentanyl; N-(1-Phenethyl-piperidin-4-yl)-N-phenyl-acetamide

Database IDs

• CAS Number: 3258-84-2
• PubChem SID: 162253407
• PubChem CID: 527015

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 0.04672103
• LogD (pH = 7.4): 1.7321719
• Log P: 3.1149628
• Molar Refractivity: 98.8556 cm^3
• Polarizability: 38.454044 Å^3
• Polar Surface Area: 23.55 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Apperance: Off-White Solid
• Melting Point: 93-95°C

Safety Information

• Storage Condition: Controlled Substance, -20°C Freezer

Product Information

• Purity: 97%

DETAILS

Toronto Research Chemicals - A175000

A Fentanyl analog.Controlled Substance.

REFERENCES

• Suzuki, S., et al.: Chem. Pharm. Bull., 34, 1340 (1986)
• Wood, M., et al.: J. Anal. Toxicol., 27, 78, (1986)
• Koch, D., et al.: J. Pharm. Biomed. Anal. 34, 577 (1986)