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MFCD13562849 molecular structure
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N-(4-methoxyphenyl)piperidine-4-carboxamide hydrochloride

ChemBase ID: 50042
Molecular Formular: C13H19ClN2O2
Molecular Mass: 270.75516
Monoisotopic Mass: 270.11350554
SMILES and InChIs

SMILES:
C(=O)(Nc1ccc(cc1)OC)C1CCNCC1.Cl
Canonical SMILES:
COc1ccc(cc1)NC(=O)C1CCNCC1.Cl
InChI:
InChI=1S/C13H18N2O2.ClH/c1-17-12-4-2-11(3-5-12)15-13(16)10-6-8-14-9-7-10;/h2-5,10,14H,6-9H2,1H3,(H,15,16);1H
InChIKey:
SGQKZQHIPPZUPZ-UHFFFAOYSA-N

Cite this record

CBID:50042 http://www.chembase.cn/molecule-50042.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
N-(4-methoxyphenyl)piperidine-4-carboxamide hydrochloride
IUPAC Traditional name
N-(4-methoxyphenyl)piperidine-4-carboxamide hydrochloride
Synonyms
N-(4-Methoxyphenyl)-4-piperidinecarboxamide hydrochloride
MDL Number
MFCD13562849
PubChem SID
162054805
PubChem CID
56832270

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Matrix Scientific
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Data Source Data ID
PubChem 56832270 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 14.596385  H Acceptors
H Donor LogD (pH = 5.5) -2.069108 
LogD (pH = 7.4) -1.484668  Log P 1.1568629 
Molar Refractivity 67.8158 cm3 Polarizability 25.8869 Å3
Polar Surface Area 50.36 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Safety Information Bioassay(PubChem)
Storage Warning
IRRITANT expand Show data source
MSDS Link
Download expand Show data source
TSCA Listed
false expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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