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3258-84-2 molecular structure
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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 and InChIs

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

Cite this record

CBID:159272 http://www.chembase.cn/molecule-159272.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
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
CAS Number
3258-84-2
PubChem SID
162253407
PubChem CID
527015

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 527015 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 0.04672103  LogD (pH = 7.4) 1.7321719 
Log P 3.1149628  Molar Refractivity 98.8556 cm3
Polarizability 38.454044 Å3 Polar Surface Area 23.55 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Apperance
Off-White Solid expand Show data source
Melting Point
93-95°C expand Show data source
Storage Condition
Controlled Substance, -20°C Freezer expand Show data source
MSDS Link
Download expand Show data source
Purity
97% expand Show data source
Certificate of Analysis
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DETAILS

DETAILS

TRC TRC
Toronto Research Chemicals - A175000 external link
A Fentanyl analog.Controlled Substance.

REFERENCES

REFERENCES

From Suppliers Google Scholar IconGoogle Scholar PubMed iconPubMed Google Books IconGoogle Books
  • • 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)
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PATENTS

PATENTS

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INTERNET

INTERNET

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