ethyl 2-(4-ethyl-2,3-dioxopiperazin-1-yl)acetate

C10H16N2O4 — CID 28940100

IUPACethyl 2-(4-ethyl-2,3-dioxopiperazin-1-yl)acetate
SMILESCCOC(=O)CN1CCN(CC)C(=O)C1=O
InChIInChI=1S/C10H16N2O4/c1-3-11-5-6-12(10(15)9(11)14)7-8(13)16-4-2/h3-7H2,1-2H3
InChIKeyPEIWFAZDCRTDGS-UHFFFAOYSA-N
MW228.25 g/mol
LogP-0.76
Rot. Bonds4

About ethyl 2-(4-ethyl-2,3-dioxopiperazin-1-yl)acetate

ethyl 2-(4-ethyl-2,3-dioxopiperazin-1-yl)acetate (PubChem CID 28940100) has the molecular formula C10H16N2O4 and a molecular weight of 228.25 g/mol. Its IUPAC name is ethyl 2-(4-ethyl-2,3-dioxopiperazin-1-yl)acetate.

Molecular Properties

Compound Nameethyl 2-(4-ethyl-2,3-dioxopiperazin-1-yl)acetate
PubChem CID28940100
Molecular FormulaC10H16N2O4
Molecular Weight228.25 g/mol
Exact Mass228.11
IUPAC Nameethyl 2-(4-ethyl-2,3-dioxopiperazin-1-yl)acetate
SMILESCCOC(=O)CN1CCN(CC)C(=O)C1=O
InChIInChI=1S/C10H16N2O4/c1-3-11-5-6-12(10(15)9(11)14)7-8(13)16-4-2/h3-7H2,1-2H3
InChIKeyPEIWFAZDCRTDGS-UHFFFAOYSA-N
XLogP-0.76
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.25
LogP ≤ 5-0.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-Acetyl-1-(2-ethoxy-2-oxoethyl)-1-methylpiperazin-1-ium
CID 16193173
1-Piperazineacetic acid, 4-methyl-, ethyl ester
CID 206939
1,2-Ethanedione, 1,2-di-4-morpholinyl-
CID 240445
2-(3,5-dioxo-4-morpholinyl)-N,N-diethylacetamide
CID 770040
Ethyl (4-ethyl-1-piperazinyl)(oxo)acetate
CID 2166906
Ethyl 2-(4-formylpiperazin-1-yl)acetate
CID 676654
Ethyl alpha-oxo-4-morpholineacetate
CID 3414011
(4-Methoxycarbonylmethyl-piperazin-1-yl)-acetic acid, methyl ester
CID 6424666
Ethyl {[2-(morpholin-4-YL)ethyl]carbamoyl}formate
CID 5152769
1,4-Piperazinediacetic acid, diethyl ester
CID 142460
Ethyl 2-(4-methylpiperazin-1-yl)-2-oxoacetate
CID 3255797
Ethyl 4-ethyl-1-piperazineacetate
CID 22199027

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(4-ethyl-2,3-dioxopiperazin-1-yl)acetate?
The IUPAC name of ethyl 2-(4-ethyl-2,3-dioxopiperazin-1-yl)acetate (CID 28940100) is ethyl 2-(4-ethyl-2,3-dioxopiperazin-1-yl)acetate.
What is the SMILES notation for ethyl 2-(4-ethyl-2,3-dioxopiperazin-1-yl)acetate?
The canonical SMILES for ethyl 2-(4-ethyl-2,3-dioxopiperazin-1-yl)acetate is CCOC(=O)CN1CCN(CC)C(=O)C1=O.
What is the InChIKey of ethyl 2-(4-ethyl-2,3-dioxopiperazin-1-yl)acetate?
The InChIKey is PEIWFAZDCRTDGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O4/c1-3-11-5-6-12(10(15)9(11)14)7-8(13)16-4-2/h3-7H2,1-2H3.
What are the key properties of ethyl 2-(4-ethyl-2,3-dioxopiperazin-1-yl)acetate?
ethyl 2-(4-ethyl-2,3-dioxopiperazin-1-yl)acetate has a molecular weight of 228.25 g/mol, XLogP of -0.76, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(4-ethyl-2,3-dioxopiperazin-1-yl)acetate is sourced from PubChem (CID 28940100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).