ethyl 2-oxo-2-piperazin-1-ylacetate

C8H14N2O3 — CID 54594006

IUPACethyl 2-oxo-2-piperazin-1-ylacetate
SMILESCCOC(=O)C(=O)N1CCNCC1
InChIInChI=1S/C8H14N2O3/c1-2-13-8(12)7(11)10-5-3-9-4-6-10/h9H,2-6H2,1H3
InChIKeyGRCMHZASUBOSKM-UHFFFAOYSA-N
MW186.21 g/mol
LogP-1.02
Rot. Bonds1

About ethyl 2-oxo-2-piperazin-1-ylacetate

ethyl 2-oxo-2-piperazin-1-ylacetate (PubChem CID 54594006) has the molecular formula C8H14N2O3 and a molecular weight of 186.21 g/mol. Its IUPAC name is ethyl 2-oxo-2-piperazin-1-ylacetate.

Molecular Properties

Compound Nameethyl 2-oxo-2-piperazin-1-ylacetate
PubChem CID54594006
Molecular FormulaC8H14N2O3
Molecular Weight186.21 g/mol
Exact Mass186.10
IUPAC Nameethyl 2-oxo-2-piperazin-1-ylacetate
SMILESCCOC(=O)C(=O)N1CCNCC1
InChIInChI=1S/C8H14N2O3/c1-2-13-8(12)7(11)10-5-3-9-4-6-10/h9H,2-6H2,1H3
InChIKeyGRCMHZASUBOSKM-UHFFFAOYSA-N
XLogP-1.02
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.21
LogP ≤ 5-1.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-oxo-2-piperazin-1-ylacetate?
The IUPAC name of ethyl 2-oxo-2-piperazin-1-ylacetate (CID 54594006) is ethyl 2-oxo-2-piperazin-1-ylacetate.
What is the SMILES notation for ethyl 2-oxo-2-piperazin-1-ylacetate?
The canonical SMILES for ethyl 2-oxo-2-piperazin-1-ylacetate is CCOC(=O)C(=O)N1CCNCC1.
What is the InChIKey of ethyl 2-oxo-2-piperazin-1-ylacetate?
The InChIKey is GRCMHZASUBOSKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2O3/c1-2-13-8(12)7(11)10-5-3-9-4-6-10/h9H,2-6H2,1H3.
What are the key properties of ethyl 2-oxo-2-piperazin-1-ylacetate?
ethyl 2-oxo-2-piperazin-1-ylacetate has a molecular weight of 186.21 g/mol, XLogP of -1.02, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-oxo-2-piperazin-1-ylacetate is sourced from PubChem (CID 54594006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).