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429633-39-6 molecular structure
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N-(furan-2-ylmethyl)piperidine-4-carboxamide

ChemBase ID: 279640
Molecular Formular: C11H16N2O2
Molecular Mass: 208.25694
Monoisotopic Mass: 208.12117776
SMILES and InChIs

SMILES:
C(=O)(NCc1occc1)C1CCNCC1
Canonical SMILES:
O=C(C1CCNCC1)NCc1ccco1
InChI:
InChI=1S/C11H16N2O2/c14-11(9-3-5-12-6-4-9)13-8-10-2-1-7-15-10/h1-2,7,9,12H,3-6,8H2,(H,13,14)
InChIKey:
XWVGZBTVTLJLAY-UHFFFAOYSA-N

Cite this record

CBID:279640 http://www.chembase.cn/molecule-279640.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
N-(furan-2-ylmethyl)piperidine-4-carboxamide
IUPAC Traditional name
N-(furan-2-ylmethyl)piperidine-4-carboxamide
Synonyms
N-(2-furylmethyl)piperidine-4-carboxamide
CAS Number
429633-39-6
MDL Number
MFCD02922400
PubChem SID
164335550
PubChem CID
3714803

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 3714803 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 13.648421  H Acceptors
H Donor LogD (pH = 5.5) -3.144285 
LogD (pH = 7.4) -2.5598376  Log P 0.08168539 
Molar Refractivity 56.7977 cm3 Polarizability 22.09628 Å3
Polar Surface Area 54.27 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Product Information Bioassay(PubChem)
Hydrophobicity(logP)
-0.262 expand Show data source
Purity
95% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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