3-ethyl-4-[2-oxo-2-(2,4,6-trimethylphenyl)ethyl]piperazin-2-one

C17H24N2O2 — CID 63601156

IUPAC3-ethyl-4-[2-oxo-2-(2,4,6-trimethylphenyl)ethyl]piperazin-2-one
SMILESCCC1C(=O)NCCN1CC(=O)c1c(C)cc(C)cc1C
InChIInChI=1S/C17H24N2O2/c1-5-14-17(21)18-6-7-19(14)10-15(20)16-12(3)8-11(2)9-13(16)4/h8-9,14H,5-7,10H2,1-4H3,(H,18,21)
InChIKeyLOJUGMIFDALQGD-UHFFFAOYSA-N
MW288.39 g/mol
LogP2.00
Rot. Bonds4

About 3-ethyl-4-[2-oxo-2-(2,4,6-trimethylphenyl)ethyl]piperazin-2-one

3-ethyl-4-[2-oxo-2-(2,4,6-trimethylphenyl)ethyl]piperazin-2-one (PubChem CID 63601156) has the molecular formula C17H24N2O2 and a molecular weight of 288.39 g/mol. Its IUPAC name is 3-ethyl-4-[2-oxo-2-(2,4,6-trimethylphenyl)ethyl]piperazin-2-one.

Molecular Properties

Compound Name3-ethyl-4-[2-oxo-2-(2,4,6-trimethylphenyl)ethyl]piperazin-2-one
PubChem CID63601156
Molecular FormulaC17H24N2O2
Molecular Weight288.39 g/mol
Exact Mass288.18
IUPAC Name3-ethyl-4-[2-oxo-2-(2,4,6-trimethylphenyl)ethyl]piperazin-2-one
SMILESCCC1C(=O)NCCN1CC(=O)c1c(C)cc(C)cc1C
InChIInChI=1S/C17H24N2O2/c1-5-14-17(21)18-6-7-19(14)10-15(20)16-12(3)8-11(2)9-13(16)4/h8-9,14H,5-7,10H2,1-4H3,(H,18,21)
InChIKeyLOJUGMIFDALQGD-UHFFFAOYSA-N
XLogP2.00
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-ethyl-3-oxopiperazin-1-yl)acetic acid
CID 63600273
3-ethyl-4-(2-oxopropyl)piperazin-2-one
CID 63600634
3-ethyl-4-[2-(4-methoxyphenyl)-2-oxoethyl]piperazin-2-one
CID 63602736
4-(3,3-dimethyl-2-oxobutyl)-3-ethylpiperazin-2-one
CID 63600469
4-[2-(2-ethoxyphenyl)-2-oxoethyl]-3-ethylpiperazin-2-one
CID 63601149
3-ethyl-4-(2-oxo-3-phenylpropyl)piperazin-2-one
CID 63602203
N-(4-aminophenyl)-2-(2-ethyl-3-oxopiperazin-1-yl)acetamide
CID 63602156
3-methyl-4-(2,4,6-trimethylbenzoyl)piperazin-2-one
CID 63605892
2-(2-ethyl-3-oxopiperazin-1-yl)-4,6-dimethylpyridine-3-carboxylic acid
CID 63604743
3-methyl-4-[2-oxo-2-(2,4,5-trimethylphenyl)ethyl]piperazin-2-one
CID 63607695
4-[3-(2,5-dimethylphenoxy)-2-hydroxypropyl]-3-ethylpiperazin-2-one
CID 111436425
N-(2-amino-5-fluorophenyl)-2-(2-ethyl-3-oxopiperazin-1-yl)acetamide
CID 63602687

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-4-[2-oxo-2-(2,4,6-trimethylphenyl)ethyl]piperazin-2-one?
The IUPAC name of 3-ethyl-4-[2-oxo-2-(2,4,6-trimethylphenyl)ethyl]piperazin-2-one (CID 63601156) is 3-ethyl-4-[2-oxo-2-(2,4,6-trimethylphenyl)ethyl]piperazin-2-one.
What is the SMILES notation for 3-ethyl-4-[2-oxo-2-(2,4,6-trimethylphenyl)ethyl]piperazin-2-one?
The canonical SMILES for 3-ethyl-4-[2-oxo-2-(2,4,6-trimethylphenyl)ethyl]piperazin-2-one is CCC1C(=O)NCCN1CC(=O)c1c(C)cc(C)cc1C.
What is the InChIKey of 3-ethyl-4-[2-oxo-2-(2,4,6-trimethylphenyl)ethyl]piperazin-2-one?
The InChIKey is LOJUGMIFDALQGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O2/c1-5-14-17(21)18-6-7-19(14)10-15(20)16-12(3)8-11(2)9-13(16)4/h8-9,14H,5-7,10H2,1-4H3,(H,18,21).
What are the key properties of 3-ethyl-4-[2-oxo-2-(2,4,6-trimethylphenyl)ethyl]piperazin-2-one?
3-ethyl-4-[2-oxo-2-(2,4,6-trimethylphenyl)ethyl]piperazin-2-one has a molecular weight of 288.39 g/mol, XLogP of 2.00, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-4-[2-oxo-2-(2,4,6-trimethylphenyl)ethyl]piperazin-2-one is sourced from PubChem (CID 63601156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).