4-(4-ethoxybutanoyl)-3-ethylpiperazin-2-one

C12H22N2O3 — CID 78947868

IUPAC4-(4-ethoxybutanoyl)-3-ethylpiperazin-2-one
SMILESCCOCCCC(=O)N1CCNC(=O)C1CC
InChIInChI=1S/C12H22N2O3/c1-3-10-12(16)13-7-8-14(10)11(15)6-5-9-17-4-2/h10H,3-9H2,1-2H3,(H,13,16)
InChIKeyMLSKSNDUHBDFGZ-UHFFFAOYSA-N
MW242.32 g/mol
LogP0.54
Rot. Bonds6

About 4-(4-ethoxybutanoyl)-3-ethylpiperazin-2-one

4-(4-ethoxybutanoyl)-3-ethylpiperazin-2-one (PubChem CID 78947868) has the molecular formula C12H22N2O3 and a molecular weight of 242.32 g/mol. Its IUPAC name is 4-(4-ethoxybutanoyl)-3-ethylpiperazin-2-one.

Molecular Properties

Compound Name4-(4-ethoxybutanoyl)-3-ethylpiperazin-2-one
PubChem CID78947868
Molecular FormulaC12H22N2O3
Molecular Weight242.32 g/mol
Exact Mass242.16
IUPAC Name4-(4-ethoxybutanoyl)-3-ethylpiperazin-2-one
SMILESCCOCCCC(=O)N1CCNC(=O)C1CC
InChIInChI=1S/C12H22N2O3/c1-3-10-12(16)13-7-8-14(10)11(15)6-5-9-17-4-2/h10H,3-9H2,1-2H3,(H,13,16)
InChIKeyMLSKSNDUHBDFGZ-UHFFFAOYSA-N
XLogP0.54
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 50.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-[3-(cyclopropylamino)propanoyl]-3-ethylpiperazin-2-one
CID 63600881
(3S)-3-ethyl-4-(3-piperidin-4-ylpropanoyl)piperazin-2-one
CID 124559943
N-[6-(2-ethyl-3-oxopiperazin-1-yl)-6-oxohexyl]acetamide
CID 63601505
pentyl 2-(1-heptanoyl-3-oxopiperazin-2-yl)acetate
CID 54789180
3-ethyl-4-(3-methylsulfonylpropanoyl)piperazin-2-one
CID 63600127
4-(2-cyclohexylacetyl)-3-ethylpiperazin-2-one
CID 63600501
ethyl 2-(2-ethyl-3-oxopiperazin-1-yl)-2-oxoacetate
CID 63603542
4-ethoxy-1-[(2S)-2-methylpiperazin-1-yl]butan-1-one
CID 82705112
3-ethyl-4-[3-(oxan-2-yl)propanoyl]piperazin-2-one
CID 63940202
3-ethyl-4-[3-(4-fluorophenyl)sulfanylpropanoyl]piperazin-2-one
CID 63600129
3-ethyl-4-(2-piperazin-1-ylacetyl)piperazin-2-one
CID 63600882
3-(2-ethyl-3-oxopiperazin-1-yl)-3-oxopropanethioamide
CID 63603860

Frequently Asked Questions

What is the IUPAC name of 4-(4-ethoxybutanoyl)-3-ethylpiperazin-2-one?
The IUPAC name of 4-(4-ethoxybutanoyl)-3-ethylpiperazin-2-one (CID 78947868) is 4-(4-ethoxybutanoyl)-3-ethylpiperazin-2-one.
What is the SMILES notation for 4-(4-ethoxybutanoyl)-3-ethylpiperazin-2-one?
The canonical SMILES for 4-(4-ethoxybutanoyl)-3-ethylpiperazin-2-one is CCOCCCC(=O)N1CCNC(=O)C1CC.
What is the InChIKey of 4-(4-ethoxybutanoyl)-3-ethylpiperazin-2-one?
The InChIKey is MLSKSNDUHBDFGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O3/c1-3-10-12(16)13-7-8-14(10)11(15)6-5-9-17-4-2/h10H,3-9H2,1-2H3,(H,13,16).
What are the key properties of 4-(4-ethoxybutanoyl)-3-ethylpiperazin-2-one?
4-(4-ethoxybutanoyl)-3-ethylpiperazin-2-one has a molecular weight of 242.32 g/mol, XLogP of 0.54, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-ethoxybutanoyl)-3-ethylpiperazin-2-one is sourced from PubChem (CID 78947868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).