N-phenyl-N-[1-(piperidin-1-yl)propan-2-yl](2H5)propanamide hydrochloride

• ChemBase ID: 176281
• Molecular Formular: C17H27ClN2O
• Molecular Mass: 310.86208
• Monoisotopic Mass: 310.18119117
• SMILES: C1CCCN(C1)CC(N(c1ccccc1)C(=O)CC)C.Cl
• Canonical SMILES: CCC(=O)N(c1ccccc1)C(CN1CCCCC1)C.Cl
• InChI: InChI=1S/C17H26N2O.ClH/c1-3-17(20)19(16-10-6-4-7-11-16)15(2)14-18-12-8-5-9-13-18;/h4,6-7,10-11,15H,3,5,8-9,12-14H2,1-2H3;1H
• InChIKey: AUEUUAMHKRZWEJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-phenyl-N-[1-(piperidin-1-yl)propan-2-yl](^2H₅)propanamide hydrochloride
• IUPAC Traditional name: N-phenyl-N-[1-(piperidin-1-yl)propan-2-yl](^2H₅)propanamide hydrochloride
• Synonyms: N-[1-Methyl-2-(1-piperidinyl)ethyl]-N-phenylpropanamide-d5 Hydrochloride; N-(1-Methyl-2-piperidinoethyl)propionanilide-d5 Hydrochloride; Phenampromide-d5 Hydrochloride

Database IDs

• PubChem SID: 164232191
• PubChem CID: 71751493

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 0.17534809
• LogD (pH = 7.4): 1.9243628
• Log P: 3.0611439
• Molar Refractivity: 83.2437 cm^3
• Polarizability: 32.597466 Å^3
• Polar Surface Area: 23.55 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

DETAILS

Toronto Research Chemicals - P227602

A labelled potent opioid analgesic. It has effects similar to other opioids such as analgesia, sedation, dizziness and nausea.

REFERENCES

• Wright, W.B. et al.: J. Am. Chem Soc., 81, 1518 (1959)