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MFCD09040681 molecular structure
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2-[(1-methylpiperidin-4-yl)amino]acetamide

ChemBase ID: 280097
Molecular Formular: C8H17N3O
Molecular Mass: 171.24008
Monoisotopic Mass: 171.13716218
SMILES and InChIs

SMILES:
N1(CCC(NCC(=O)N)CC1)C
Canonical SMILES:
CN1CCC(CC1)NCC(=O)N
InChI:
InChI=1S/C8H17N3O/c1-11-4-2-7(3-5-11)10-6-8(9)12/h7,10H,2-6H2,1H3,(H2,9,12)
InChIKey:
FOUBMAFOASEEML-UHFFFAOYSA-N

Cite this record

CBID:280097 http://www.chembase.cn/molecule-280097.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-[(1-methylpiperidin-4-yl)amino]acetamide
IUPAC Traditional name
2-[(1-methylpiperidin-4-yl)amino]acetamide
Synonyms
2-[(1-methylpiperidin-4-yl)amino]acetamide
MDL Number
MFCD09040681
PubChem SID
180665628
PubChem CID
16228740

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Enamine
EN300-87169 external link Add to cart Please log in.
Data Source Data ID
PubChem 16228740 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 16.558004  H Acceptors
H Donor LogD (pH = 5.5) -6.2089353 
LogD (pH = 7.4) -3.7120311  Log P -1.4950316 
Molar Refractivity 48.0513 cm3 Polarizability 18.999018 Å3
Polar Surface Area 58.36 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Product Information Bioassay(PubChem)
Hydrophobicity(logP)
-1.472 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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