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MFCD11183506 molecular structure
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N-cyclohexyl-N-methyl-2-(piperazin-1-yl)acetamide

ChemBase ID: 270160
Molecular Formular: C13H25N3O
Molecular Mass: 239.3571
Monoisotopic Mass: 239.19976244
SMILES and InChIs

SMILES:
C(=O)(N(C1CCCCC1)C)CN1CCNCC1
Canonical SMILES:
O=C(N(C1CCCCC1)C)CN1CCNCC1
InChI:
InChI=1S/C13H25N3O/c1-15(12-5-3-2-4-6-12)13(17)11-16-9-7-14-8-10-16/h12,14H,2-11H2,1H3
InChIKey:
XRPXCLPKGVQVDY-UHFFFAOYSA-N

Cite this record

CBID:270160 http://www.chembase.cn/molecule-270160.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
N-cyclohexyl-N-methyl-2-(piperazin-1-yl)acetamide
IUPAC Traditional name
N-cyclohexyl-N-methyl-2-(piperazin-1-yl)acetamide
Synonyms
N-cyclohexyl-N-methyl-2-(piperazin-1-yl)acetamide
MDL Number
MFCD11183506
PubChem SID
164326070
PubChem CID
43089543

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Enamine
EN300-68906 external link Add to cart Please log in.
Data Source Data ID
PubChem 43089543 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -2.4549856  LogD (pH = 7.4) -0.95302105 
Log P 0.5719045  Molar Refractivity 69.4579 cm3
Polarizability 27.476744 Å3 Polar Surface Area 35.58 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Product Information Bioassay(PubChem)
Hydrophobicity(logP)
1.493 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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