ethyl 2-(2-ethyl-3-oxopiperazin-1-yl)-2-oxoacetate

C10H16N2O4 — CID 63603542

IUPACethyl 2-(2-ethyl-3-oxopiperazin-1-yl)-2-oxoacetate
SMILESCCOC(=O)C(=O)N1CCNC(=O)C1CC
InChIInChI=1S/C10H16N2O4/c1-3-7-8(13)11-5-6-12(7)9(14)10(15)16-4-2/h7H,3-6H2,1-2H3,(H,11,13)
InChIKeyXSCLVVZNZSQGSW-UHFFFAOYSA-N
MW228.25 g/mol
LogP-0.71
Rot. Bonds2

About ethyl 2-(2-ethyl-3-oxopiperazin-1-yl)-2-oxoacetate

ethyl 2-(2-ethyl-3-oxopiperazin-1-yl)-2-oxoacetate (PubChem CID 63603542) has the molecular formula C10H16N2O4 and a molecular weight of 228.25 g/mol. Its IUPAC name is ethyl 2-(2-ethyl-3-oxopiperazin-1-yl)-2-oxoacetate.

Molecular Properties

Compound Nameethyl 2-(2-ethyl-3-oxopiperazin-1-yl)-2-oxoacetate
PubChem CID63603542
Molecular FormulaC10H16N2O4
Molecular Weight228.25 g/mol
Exact Mass228.11
IUPAC Nameethyl 2-(2-ethyl-3-oxopiperazin-1-yl)-2-oxoacetate
SMILESCCOC(=O)C(=O)N1CCNC(=O)C1CC
InChIInChI=1S/C10H16N2O4/c1-3-7-8(13)11-5-6-12(7)9(14)10(15)16-4-2/h7H,3-6H2,1-2H3,(H,11,13)
InChIKeyXSCLVVZNZSQGSW-UHFFFAOYSA-N
XLogP-0.71
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.25
LogP ≤ 5-0.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze ethyl 2-(2-ethyl-3-oxopiperazin-1-yl)-2-oxoacetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S)-2-ethyl-3-oxopiperazine-1-carbothioamide
CID 95240750
4-(4-ethoxybutanoyl)-3-ethylpiperazin-2-one
CID 78947868
3-ethyl-4-(2-methylbenzoyl)piperazin-2-one
CID 63601884
2,2,2-trifluoroethyl 2-ethyl-3-oxopiperazine-1-carboxylate
CID 63661158
3-(2-ethyl-3-oxopiperazin-1-yl)-3-oxopropanethioamide
CID 63603860
4-(2-bromopropanoyl)-3-ethylpiperazin-2-one
CID 107905248
3-ethyl-4-(2-methylcyclopropanecarbonyl)piperazin-2-one
CID 63602423
3-ethyl-4-(3-methyl-2-propan-2-ylbutanoyl)piperazin-2-one
CID 114282285
4-(2-aminopentanoyl)-3-ethylpiperazin-2-one
CID 63602807
3-ethyl-4-(3-methylsulfonylpropanoyl)piperazin-2-one
CID 63600127
4-(2-amino-6-methylbenzoyl)-3-ethylpiperazin-2-one
CID 63601793
3-ethyl-4-[2-(2-methylphenyl)acetyl]piperazin-2-one
CID 63601493

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(2-ethyl-3-oxopiperazin-1-yl)-2-oxoacetate?
The IUPAC name of ethyl 2-(2-ethyl-3-oxopiperazin-1-yl)-2-oxoacetate (CID 63603542) is ethyl 2-(2-ethyl-3-oxopiperazin-1-yl)-2-oxoacetate.
What is the SMILES notation for ethyl 2-(2-ethyl-3-oxopiperazin-1-yl)-2-oxoacetate?
The canonical SMILES for ethyl 2-(2-ethyl-3-oxopiperazin-1-yl)-2-oxoacetate is CCOC(=O)C(=O)N1CCNC(=O)C1CC.
What is the InChIKey of ethyl 2-(2-ethyl-3-oxopiperazin-1-yl)-2-oxoacetate?
The InChIKey is XSCLVVZNZSQGSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O4/c1-3-7-8(13)11-5-6-12(7)9(14)10(15)16-4-2/h7H,3-6H2,1-2H3,(H,11,13).
What are the key properties of ethyl 2-(2-ethyl-3-oxopiperazin-1-yl)-2-oxoacetate?
ethyl 2-(2-ethyl-3-oxopiperazin-1-yl)-2-oxoacetate has a molecular weight of 228.25 g/mol, XLogP of -0.71, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(2-ethyl-3-oxopiperazin-1-yl)-2-oxoacetate is sourced from PubChem (CID 63603542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).