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MFCD13562874 molecular structure
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N-(oxan-4-ylmethyl)piperidine-4-carboxamide hydrochloride

ChemBase ID: 50068
Molecular Formular: C12H23ClN2O2
Molecular Mass: 262.77622
Monoisotopic Mass: 262.14480567
SMILES and InChIs

SMILES:
C(=O)(NCC1CCOCC1)C1CCNCC1.Cl
Canonical SMILES:
O=C(C1CCNCC1)NCC1CCOCC1.Cl
InChI:
InChI=1S/C12H22N2O2.ClH/c15-12(11-1-5-13-6-2-11)14-9-10-3-7-16-8-4-10;/h10-11,13H,1-9H2,(H,14,15);1H
InChIKey:
OZSWERZUAZMXBF-UHFFFAOYSA-N

Cite this record

CBID:50068 http://www.chembase.cn/molecule-50068.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
N-(oxan-4-ylmethyl)piperidine-4-carboxamide hydrochloride
IUPAC Traditional name
N-(oxan-4-ylmethyl)piperidine-4-carboxamide hydrochloride
Synonyms
N-(Tetrahydro-2H-pyran-4-ylmethyl)-4-piperidinecarboxamide hydrochloride
MDL Number
MFCD13562874
PubChem SID
162054831
PubChem CID
53410773

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 53410773 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 16.004126  H Acceptors
H Donor LogD (pH = 5.5) -3.5072212 
LogD (pH = 7.4) -2.9227915  Log P -0.28124753 
Molar Refractivity 63.0877 cm3 Polarizability 24.80672 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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