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1217684-08-6 molecular structure
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N-[(3S,4R)-3-methylpiperidin-4-yl]-N-phenylpropanamide hydrochloride

ChemBase ID: 175688
Molecular Formular: C15H23ClN2O
Molecular Mass: 282.80892
Monoisotopic Mass: 282.14989105
SMILES and InChIs

SMILES:
Cl.[C@H]1([C@@H](CCNC1)N(C(=O)CC)c1ccccc1)C
Canonical SMILES:
CCC(=O)N([C@@H]1CCNC[C@@H]1C)c1ccccc1.Cl
InChI:
InChI=1S/C15H22N2O.ClH/c1-3-15(18)17(13-7-5-4-6-8-13)14-9-10-16-11-12(14)2;/h4-8,12,14,16H,3,9-11H2,1-2H3;1H/t12-,14+;/m0./s1
InChIKey:
NGCSJOMTORYNCC-DSHXVJGRSA-N

Cite this record

CBID:175688 http://www.chembase.cn/molecule-175688.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
N-[(3S,4R)-3-methylpiperidin-4-yl]-N-phenylpropanamide hydrochloride
IUPAC Traditional name
N-[(3S,4R)-3-methylpiperidin-4-yl]-N-phenylpropanamide hydrochloride
Synonyms
cis-N-(3-Methyl-4-piperidinyl)-N-phenylpropanamide Hydrochloride Salt
Normethyl Fentanyl Hydrochloride Salt
CAS Number
1217684-08-6
PubChem SID
164231598
PubChem CID
71751234

DATA SOURCES

DATA SOURCES

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Data Source Data ID
TRC N734801 external link Add to cart
PubChem 71751234 external link
Data Source Data ID Price
TRC
N734801 external link Add to cart Please log in.
Data Source Data ID
PubChem 71751234 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -1.327021  LogD (pH = 7.4) -0.7365478 
Log P 1.8986398  Molar Refractivity 73.2366 cm3
Polarizability 28.906965 Å3 Polar Surface Area 32.34 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Solubility
Chlorform expand Show data source
Methanol expand Show data source
Apperance
White Solid expand Show data source
Melting Point
173-176°C expand Show data source
Storage Condition
Hygroscopic, -20°C Freezer, Under Inert Atmosphere expand Show data source
MSDS Link
Download expand Show data source
Certificate of Analysis
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DETAILS

DETAILS

TRC TRC
Toronto Research Chemicals - N734801 external link
It is a novel, highly potent and selective agonist for opiate μ-receptors.

REFERENCES

REFERENCES

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  • • Cotton, R., et al.: Eur. J. Pharmacol., 97, 331 (1984)
  • • Portoghese, P.S., et al.: J. Med. Chem., 31, 836 (1984)
  • • Brandt, W., et al.: Drug Des. Discovery, 10, 257 (1984)
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PATENTS

PATENTS

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INTERNET

INTERNET

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