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70724-80-0 molecular structure
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N-methyl-2-(piperidin-4-yl)acetamide

ChemBase ID: 285476
Molecular Formular: C8H16N2O
Molecular Mass: 156.22544
Monoisotopic Mass: 156.12626314
SMILES and InChIs

SMILES:
C(=O)(NC)CC1CCNCC1
Canonical SMILES:
CNC(=O)CC1CCNCC1
InChI:
InChI=1S/C8H16N2O/c1-9-8(11)6-7-2-4-10-5-3-7/h7,10H,2-6H2,1H3,(H,9,11)
InChIKey:
ARPZPQQZHSZMNS-UHFFFAOYSA-N

Cite this record

CBID:285476 http://www.chembase.cn/molecule-285476.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
N-methyl-2-(piperidin-4-yl)acetamide
IUPAC Traditional name
N-methyl-2-(piperidin-4-yl)acetamide
Synonyms
N-methyl-2-(piperidin-4-yl)acetamide
N-methyl-2-(4-piperidinyl)acetamide
CAS Number
70724-80-0
MDL Number
MFCD09933326
PubChem SID
180671007
PubChem CID
20569899

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 20569899 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 16.397362  H Acceptors
H Donor LogD (pH = 5.5) -3.735828 
LogD (pH = 7.4) -3.070247  Log P -0.5144329 
Molar Refractivity 44.3693 cm3 Polarizability 17.470844 Å3
Polar Surface Area 41.13 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Product Information Bioassay(PubChem)
Melting Point
105 - 107°C expand Show data source
Hydrophobicity(logP)
-0.847 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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