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39890-41-0 molecular structure
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N-methyl-2-(piperazin-1-yl)acetamide

ChemBase ID: 248100
Molecular Formular: C7H15N3O
Molecular Mass: 157.2135
Monoisotopic Mass: 157.12151212
SMILES and InChIs

SMILES:
N1(CC(=O)NC)CCNCC1
Canonical SMILES:
CNC(=O)CN1CCNCC1
InChI:
InChI=1S/C7H15N3O/c1-8-7(11)6-10-4-2-9-3-5-10/h9H,2-6H2,1H3,(H,8,11)
InChIKey:
SOTHHBNFPDRYCM-UHFFFAOYSA-N

Cite this record

CBID:248100 http://www.chembase.cn/molecule-248100.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
N-methyl-2-(piperazin-1-yl)acetamide
IUPAC Traditional name
N-methyl-2-(piperazin-1-yl)acetamide
Synonyms
N-methyl-2-(1-piperazinyl)acetamide
N-methyl-2-piperazin-1-ylacetamide
CAS Number
39890-41-0
MDL Number
MFCD06655511
PubChem SID
164304010
PubChem CID
4962075

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 4962075 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 16.051573  H Acceptors
H Donor LogD (pH = 5.5) -4.483029 
LogD (pH = 7.4) -2.9803038  Log P -1.4510422 
Molar Refractivity 43.547 cm3 Polarizability 17.160337 Å3
Polar Surface Area 44.37 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Product Information Bioassay(PubChem)
Melting Point
50 - 52°C expand Show data source
Hydrophobicity(logP)
-0.968 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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