ethyl 3-(4-methyl-3-oxopiperazin-1-yl)-3-oxopropanoate

C10H16N2O4 — CID 110476247

IUPACethyl 3-(4-methyl-3-oxopiperazin-1-yl)-3-oxopropanoate
SMILESCCOC(=O)CC(=O)N1CCN(C)C(=O)C1
InChIInChI=1S/C10H16N2O4/c1-3-16-10(15)6-8(13)12-5-4-11(2)9(14)7-12/h3-7H2,1-2H3
InChIKeyGJDMVKZNCAGSLU-UHFFFAOYSA-N
MW228.25 g/mol
LogP-0.76
Rot. Bonds3

About ethyl 3-(4-methyl-3-oxopiperazin-1-yl)-3-oxopropanoate

ethyl 3-(4-methyl-3-oxopiperazin-1-yl)-3-oxopropanoate (PubChem CID 110476247) has the molecular formula C10H16N2O4 and a molecular weight of 228.25 g/mol. Its IUPAC name is ethyl 3-(4-methyl-3-oxopiperazin-1-yl)-3-oxopropanoate.

Molecular Properties

Compound Nameethyl 3-(4-methyl-3-oxopiperazin-1-yl)-3-oxopropanoate
PubChem CID110476247
Molecular FormulaC10H16N2O4
Molecular Weight228.25 g/mol
Exact Mass228.11
IUPAC Nameethyl 3-(4-methyl-3-oxopiperazin-1-yl)-3-oxopropanoate
SMILESCCOC(=O)CC(=O)N1CCN(C)C(=O)C1
InChIInChI=1S/C10H16N2O4/c1-3-16-10(15)6-8(13)12-5-4-11(2)9(14)7-12/h3-7H2,1-2H3
InChIKeyGJDMVKZNCAGSLU-UHFFFAOYSA-N
XLogP-0.76
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
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': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

1-methyl-4-propanoylpiperazin-2-one
CID 64693548
1-(4-methyl-3-oxopiperazin-1-yl)butane-1,3-dione
CID 64680135
4-butanoyl-1-methylpiperazin-2-one
CID 64693337
ethyl 2-(4-methyl-3-oxopiperazin-1-yl)acetate
CID 64693243
ethyl 4-methyl-3-oxo-1,4-diazepane-1-carboxylate
CID 102892971
1-methyl-4-[3-(methylamino)propanoyl]piperazin-2-one
CID 64681606
1-methyl-4-(3-methylbutanoyl)piperazin-2-one
CID 110708045
N-ethyl-4-methyl-3-oxopiperazine-1-carboxamide
CID 89097126
2-[2-(4-methyl-3-oxopiperazin-1-yl)-2-oxoethoxy]acetic acid
CID 64683018
4-(4-amino-3-methoxybutanoyl)-1-methylpiperazin-2-one
CID 103156005
4-(4-amino-4-methylpentanoyl)-1-methylpiperazin-2-one
CID 64682222
ethane;4-methyl-3-oxopiperazine-1-carboxamide
CID 143722944

Frequently Asked Questions

What is the IUPAC name of ethyl 3-(4-methyl-3-oxopiperazin-1-yl)-3-oxopropanoate?
The IUPAC name of ethyl 3-(4-methyl-3-oxopiperazin-1-yl)-3-oxopropanoate (CID 110476247) is ethyl 3-(4-methyl-3-oxopiperazin-1-yl)-3-oxopropanoate.
What is the SMILES notation for ethyl 3-(4-methyl-3-oxopiperazin-1-yl)-3-oxopropanoate?
The canonical SMILES for ethyl 3-(4-methyl-3-oxopiperazin-1-yl)-3-oxopropanoate is CCOC(=O)CC(=O)N1CCN(C)C(=O)C1.
What is the InChIKey of ethyl 3-(4-methyl-3-oxopiperazin-1-yl)-3-oxopropanoate?
The InChIKey is GJDMVKZNCAGSLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O4/c1-3-16-10(15)6-8(13)12-5-4-11(2)9(14)7-12/h3-7H2,1-2H3.
What are the key properties of ethyl 3-(4-methyl-3-oxopiperazin-1-yl)-3-oxopropanoate?
ethyl 3-(4-methyl-3-oxopiperazin-1-yl)-3-oxopropanoate has a molecular weight of 228.25 g/mol, XLogP of -0.76, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-(4-methyl-3-oxopiperazin-1-yl)-3-oxopropanoate is sourced from PubChem (CID 110476247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).