N-(2H5)phenyl-N-[1-(2-phenylethyl)piperidin-4-yl]propanamide

• ChemBase ID: 168930
• Molecular Formular: C22H28N2O
• Molecular Mass: 336.47052
• Monoisotopic Mass: 336.22016353
• SMILES: C1CN(CCC1N(c1ccccc1)C(=O)CC)CCc1ccccc1
• Canonical SMILES: CCC(=O)N(c1ccccc1)C1CCN(CC1)CCc1ccccc1
• InChI: InChI=1S/C22H28N2O/c1-2-22(25)24(20-11-7-4-8-12-20)21-14-17-23(18-15-21)16-13-19-9-5-3-6-10-19/h3-12,21H,2,13-18H2,1H3
• InChIKey: PJMPHNIQZUBGLI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(^2H₅)phenyl-N-[1-(2-phenylethyl)piperidin-4-yl]propanamide
• IUPAC Traditional name: N-(^2H₅)phenyl-N-[1-(2-phenylethyl)piperidin-4-yl]propanamide
• Synonyms: N-(Phenyl-d5)-N-(1-[2-phenylethyl]-4-piperidinyl)propanamide; 1-Phenethyl-4-(N-phenylpropionamido)piperidine-d5; Durogesic-d5; Durogesic D-Trans-d5; Durotep MT-d5; Fentanest-d5; Fentanil-d5; Fentora-d5; Matrifen-d5; Phentanyl-d5; R 4263-d5; Sublimase-d5; Fentanyl-d5

Database IDs

• CAS Number: 201415-26-1
• PubChem SID: 162263062
• PubChem CID: 45039251

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 0.7473339
• LogD (pH = 7.4): 2.432824
• Log P: 3.8154986
• Molar Refractivity: 103.4825 cm^3
• Polarizability: 40.324486 Å^3
• Polar Surface Area: 23.55 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: Chloroform; Methanol
• Apperance: Off-White Solid
• Melting Point: 83-84°C

Safety Information

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

DETAILS

Toronto Research Chemicals - F275005

Used as an analgesic. Controlled substance

REFERENCES

• Zernig, G., et al.: Life Sci., 57, 2113 (1995)
• Bot, G., et al.: J. Pharmacol. Exper. Therap., 285, 1207 (1995)