N-{1-benzyl-4-[(2H3)methoxymethyl]piperidin-4-yl}-N-phenylpropanamide

• ChemBase ID: 161680
• Molecular Formular: C23H30N2O2
• Molecular Mass: 366.4965
• Monoisotopic Mass: 366.23072821
• SMILES: c1ccc(cc1)N(C1(CCN(CC1)Cc1ccccc1)COC)C(=O)CC
• Canonical SMILES: COCC1(CCN(CC1)Cc1ccccc1)N(c1ccccc1)C(=O)CC
• InChI: InChI=1S/C23H30N2O2/c1-3-22(26)25(21-12-8-5-9-13-21)23(19-27-2)14-16-24(17-15-23)18-20-10-6-4-7-11-20/h4-13H,3,14-19H2,1-2H3
• InChIKey: RIGNIZMZYKGGHY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-{1-benzyl-4-[(^2H₃)methoxymethyl]piperidin-4-yl}-N-phenylpropanamide
• IUPAC Traditional name: N-{1-benzyl-4-[(^2H₃)methoxymethyl]piperidin-4-yl}-N-phenylpropanamide
• Synonyms: N-[4-(Methoxymethyl)-1-(phenylmethyl)-4-piperidinyl]-N-phenyl-propanamide-d3; 1-Benzyl-4-[N-(1-propanoyl)-N-phenylamino]-4-methoxymethylpiperidine-d3

Database IDs

• PubChem SID: 162255815
• PubChem CID: 46780757

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 0.5092322
• LogD (pH = 7.4): 2.256313
• Log P: 3.4036305
• Molar Refractivity: 109.6606 cm^3
• Polarizability: 42.885143 Å^3
• Polar Surface Area: 32.78 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: Chloroform; Dichloromethane
• Apperance: Dark Oil

DETAILS

Toronto Research Chemicals - B285807

An intermediate in the preparation of labelled Alfentanil and Sufentanil Citrate