Home > Compound List > Compound details
MFCD09935837 molecular structure
click picture or here to close

2-(piperazin-1-yl)-N-(prop-2-yn-1-yl)acetamide

ChemBase ID: 270067
Molecular Formular: C9H15N3O
Molecular Mass: 181.2349
Monoisotopic Mass: 181.12151212
SMILES and InChIs

SMILES:
C(#C)CNC(=O)CN1CCNCC1
Canonical SMILES:
C#CCNC(=O)CN1CCNCC1
InChI:
InChI=1S/C9H15N3O/c1-2-3-11-9(13)8-12-6-4-10-5-7-12/h1,10H,3-8H2,(H,11,13)
InChIKey:
QTRUBPUXLDLDOI-UHFFFAOYSA-N

Cite this record

CBID:270067 http://www.chembase.cn/molecule-270067.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-(piperazin-1-yl)-N-(prop-2-yn-1-yl)acetamide
IUPAC Traditional name
2-(piperazin-1-yl)-N-(prop-2-yn-1-yl)acetamide
Synonyms
2-(piperazin-1-yl)-N-(prop-2-yn-1-yl)acetamide
MDL Number
MFCD09935837
PubChem SID
164325977
PubChem CID
24697115

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Enamine
EN300-68745 external link Add to cart Please log in.
Data Source Data ID
PubChem 24697115 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 13.246677  H Acceptors
H Donor LogD (pH = 5.5) -4.2491617 
LogD (pH = 7.4) -2.747301  Log P -1.222959 
Molar Refractivity 51.1272 cm3 Polarizability 19.744328 Å3
Polar Surface Area 44.37 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Product Information Bioassay(PubChem)
Hydrophobicity(logP)
-0.368 expand Show data source
Purity
95% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

From Suppliers Google Scholar IconGoogle Scholar PubMed iconPubMed Google Books IconGoogle Books
    No data available
  • Searching...Please wait...

PATENTS

PATENTS

PubChem iconPubChem Patent Google Patent Search IconGoogle Patent

INTERNET

INTERNET

Baidu iconBaidu google iconGoogle