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302-41-0 molecular structure
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1-(3-cyano-3,3-diphenylpropyl)-4-(piperidin-1-yl)piperidine-4-carboxamide

ChemBase ID: 176789
Molecular Formular: C27H34N4O
Molecular Mass: 430.58506
Monoisotopic Mass: 430.27326173
SMILES and InChIs

SMILES:
C(CCN1CCC(CC1)(N1CCCCC1)C(=O)N)(c1ccccc1)(c1ccccc1)C#N
Canonical SMILES:
N#CC(c1ccccc1)(c1ccccc1)CCN1CCC(CC1)(N1CCCCC1)C(=O)N
InChI:
InChI=1S/C27H34N4O/c28-22-26(23-10-4-1-5-11-23,24-12-6-2-7-13-24)14-19-30-20-15-27(16-21-30,25(29)32)31-17-8-3-9-18-31/h1-2,4-7,10-13H,3,8-9,14-21H2,(H2,29,32)
InChIKey:
IHEHEFLXQFOQJO-UHFFFAOYSA-N

Cite this record

CBID:176789 http://www.chembase.cn/molecule-176789.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
1-(3-cyano-3,3-diphenylpropyl)-4-(piperidin-1-yl)piperidine-4-carboxamide
IUPAC Traditional name
piritramide
Synonyms
1'-(3-Cyano-3,3-diphenylpropyl)-[1,4'-bipiperidine]-4'-carboxamide
1-(3,3-Diphenyl-3-cyanopropyl)-4-piperidino-4-piperidinecarboxamide
2,2-Diphenyl-4-(4-piperidino-4-carbamoylpiperidino)butyronitrile
A 65
Dipidolor
Dipiritramide
Pirdolan
Piridolan
Pirinitramide
R 3365
Piritramide
CAS Number
302-41-0
PubChem SID
164232699
PubChem CID
9331

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
TRC P508800 external link Add to cart
PubChem 9331 external link
Data Source Data ID Price
TRC
P508800 external link Add to cart Please log in.
Data Source Data ID
PubChem 9331 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 15.137  H Acceptors
H Donor LogD (pH = 5.5) -1.1682347 
LogD (pH = 7.4) 1.5328043  Log P 3.3947442 
Molar Refractivity 139.806 cm3 Polarizability 50.210484 Å3
Polar Surface Area 73.36 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Solubility
Chloroform expand Show data source
Ethyl Acetate expand Show data source
Apperance
Off-White Low Melting Solid expand Show data source
Storage Condition
Controlled Substance, -20°C Freezer 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 - P508800 external link
It is a synthetic opioid commonly used in Germany and Austria for the analgesia of pediatric patients. Analgesic (narcotic).Controlled substance (opiate).

REFERENCES

REFERENCES

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  • • Anand, K., et al.: J. Pediatr. Surg., 23, 297 (1988)
  • • Breitfeld, C., et al.: Br. J. Anaesth., 91, 218 (1988)
  • • Bouillon, T., et al.: Eur. J. Anaesthesiol., 21, 673 (1988)
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PATENTS

PATENTS

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INTERNET

INTERNET

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