piperazin-1-yl propanoate

C7H14N2O2 — CID 12863406

IUPACpiperazin-1-yl propanoate
SMILESCCC(=O)ON1CCNCC1
InChIInChI=1S/C7H14N2O2/c1-2-7(10)11-9-5-3-8-4-6-9/h8H,2-6H2,1H3
InChIKeyCXBMFZUPACUEDI-UHFFFAOYSA-N
MW158.20 g/mol
LogP-0.24
Rot. Bonds2

About piperazin-1-yl propanoate

piperazin-1-yl propanoate (PubChem CID 12863406) has the molecular formula C7H14N2O2 and a molecular weight of 158.20 g/mol. Its IUPAC name is piperazin-1-yl propanoate.

Molecular Properties

Compound Namepiperazin-1-yl propanoate
PubChem CID12863406
Molecular FormulaC7H14N2O2
Molecular Weight158.20 g/mol
Exact Mass158.11
IUPAC Namepiperazin-1-yl propanoate
SMILESCCC(=O)ON1CCNCC1
InChIInChI=1S/C7H14N2O2/c1-2-7(10)11-9-5-3-8-4-6-9/h8H,2-6H2,1H3
InChIKeyCXBMFZUPACUEDI-UHFFFAOYSA-N
XLogP-0.24
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.20
LogP ≤ 5-0.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

dipiperazin-1-yl butanedioate
CID 69276754
piperazin-1-yl 3,3-dimethylbutanoate
CID 66914631
piperazin-1-yl acetate
CID 54492305
dipiperazin-1-yl oxalate
CID 57296724
[4-(3-hydroxypropanoyloxy)-1,4,7,10-tetrazacyclododec-1-yl] 3-hydroxypropanoate
CID 175945631
piperazin-1-ylmethyl propanoate
CID 151956933
diimidazolidin-1-yl butanedioate
CID 174415270
pyrrolidin-1-yl 2-piperazin-1-ylacetate
CID 69133633
2-hydroxy-2-(2-oxo-2-piperazin-1-yloxyethyl)butanedioic acid;hydrate
CID 175295046
aziridin-1-yl propanoate;carbamic acid;pyridine
CID 172801378
aziridin-1-yl propanoate;2,3,5-tris(aziridin-1-yl)cyclohexa-2,5-diene-1,4-dione
CID 87696395
1-[4-(2-piperazin-1-ylethyl)piperazin-1-yl]propan-1-one
CID 178104609

Frequently Asked Questions

What is the IUPAC name of piperazin-1-yl propanoate?
The IUPAC name of piperazin-1-yl propanoate (CID 12863406) is piperazin-1-yl propanoate.
What is the SMILES notation for piperazin-1-yl propanoate?
The canonical SMILES for piperazin-1-yl propanoate is CCC(=O)ON1CCNCC1.
What is the InChIKey of piperazin-1-yl propanoate?
The InChIKey is CXBMFZUPACUEDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2O2/c1-2-7(10)11-9-5-3-8-4-6-9/h8H,2-6H2,1H3.
What are the key properties of piperazin-1-yl propanoate?
piperazin-1-yl propanoate has a molecular weight of 158.20 g/mol, XLogP of -0.24, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for piperazin-1-yl propanoate is sourced from PubChem (CID 12863406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).