3-ethyl-4-[1-(4-ethylphenyl)-1-oxopropan-2-yl]piperazin-2-one

C17H24N2O2 — CID 63601850

IUPAC3-ethyl-4-[1-(4-ethylphenyl)-1-oxopropan-2-yl]piperazin-2-one
SMILESCCc1ccc(C(=O)C(C)N2CCNC(=O)C2CC)cc1
InChIInChI=1S/C17H24N2O2/c1-4-13-6-8-14(9-7-13)16(20)12(3)19-11-10-18-17(21)15(19)5-2/h6-9,12,15H,4-5,10-11H2,1-3H3,(H,18,21)
InChIKeyDYBFLHMIFWCYNF-UHFFFAOYSA-N
MW288.39 g/mol
LogP2.03
Rot. Bonds5

About 3-ethyl-4-[1-(4-ethylphenyl)-1-oxopropan-2-yl]piperazin-2-one

3-ethyl-4-[1-(4-ethylphenyl)-1-oxopropan-2-yl]piperazin-2-one (PubChem CID 63601850) has the molecular formula C17H24N2O2 and a molecular weight of 288.39 g/mol. Its IUPAC name is 3-ethyl-4-[1-(4-ethylphenyl)-1-oxopropan-2-yl]piperazin-2-one.

Molecular Properties

Compound Name3-ethyl-4-[1-(4-ethylphenyl)-1-oxopropan-2-yl]piperazin-2-one
PubChem CID63601850
Molecular FormulaC17H24N2O2
Molecular Weight288.39 g/mol
Exact Mass288.18
IUPAC Name3-ethyl-4-[1-(4-ethylphenyl)-1-oxopropan-2-yl]piperazin-2-one
SMILESCCc1ccc(C(=O)C(C)N2CCNC(=O)C2CC)cc1
InChIInChI=1S/C17H24N2O2/c1-4-13-6-8-14(9-7-13)16(20)12(3)19-11-10-18-17(21)15(19)5-2/h6-9,12,15H,4-5,10-11H2,1-3H3,(H,18,21)
InChIKeyDYBFLHMIFWCYNF-UHFFFAOYSA-N
XLogP2.03
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-ethyl-3-oxopiperazin-1-yl)propanoic acid
CID 63602723
1-[1-(4-ethylphenyl)-1-oxopropan-2-yl]-1,4-diazepan-5-one
CID 63003643
4-[1-(4-chlorophenyl)-1-oxopropan-2-yl]-3-methylpiperazin-2-one
CID 63605975
3-ethyl-4-(1-oxo-1-phenylpropan-2-yl)piperazine-2,6-dione
CID 66068748
methyl 4-[[(2S)-2-ethyl-3-oxopiperazin-1-yl]methyl]benzoate
CID 124545764
2-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-1-(4-ethylphenyl)propan-1-one
CID 82752916
2-(azocan-1-yl)-1-(4-ethylphenyl)propan-1-one
CID 43228442
1-(4-ethylphenyl)-2-(4-methylpiperidin-1-yl)propan-1-one
CID 43228135
2-(2-ethyl-3-oxopiperazin-1-yl)pentanoic acid
CID 83040885
4-[3-(2-ethyl-3-oxopiperazin-1-yl)-3-oxopropyl]benzoic acid
CID 119184179
2-(2-ethylpiperidin-1-yl)-1-(4-fluorophenyl)propan-1-one
CID 43227547
2-(2-ethylazepan-1-yl)-1-(4-fluorophenyl)propan-1-one
CID 104690703

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-4-[1-(4-ethylphenyl)-1-oxopropan-2-yl]piperazin-2-one?
The IUPAC name of 3-ethyl-4-[1-(4-ethylphenyl)-1-oxopropan-2-yl]piperazin-2-one (CID 63601850) is 3-ethyl-4-[1-(4-ethylphenyl)-1-oxopropan-2-yl]piperazin-2-one.
What is the SMILES notation for 3-ethyl-4-[1-(4-ethylphenyl)-1-oxopropan-2-yl]piperazin-2-one?
The canonical SMILES for 3-ethyl-4-[1-(4-ethylphenyl)-1-oxopropan-2-yl]piperazin-2-one is CCc1ccc(C(=O)C(C)N2CCNC(=O)C2CC)cc1.
What is the InChIKey of 3-ethyl-4-[1-(4-ethylphenyl)-1-oxopropan-2-yl]piperazin-2-one?
The InChIKey is DYBFLHMIFWCYNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O2/c1-4-13-6-8-14(9-7-13)16(20)12(3)19-11-10-18-17(21)15(19)5-2/h6-9,12,15H,4-5,10-11H2,1-3H3,(H,18,21).
What are the key properties of 3-ethyl-4-[1-(4-ethylphenyl)-1-oxopropan-2-yl]piperazin-2-one?
3-ethyl-4-[1-(4-ethylphenyl)-1-oxopropan-2-yl]piperazin-2-one has a molecular weight of 288.39 g/mol, XLogP of 2.03, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-4-[1-(4-ethylphenyl)-1-oxopropan-2-yl]piperazin-2-one is sourced from PubChem (CID 63601850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).