3-ethyl-4-(5-fluoro-2-methylbenzoyl)piperazine-2,6-dione

C14H15FN2O3 — CID 66068909

IUPAC3-ethyl-4-(5-fluoro-2-methylbenzoyl)piperazine-2,6-dione
SMILESCCC1C(=O)NC(=O)CN1C(=O)c1cc(F)ccc1C
InChIInChI=1S/C14H15FN2O3/c1-3-11-13(19)16-12(18)7-17(11)14(20)10-6-9(15)5-4-8(10)2/h4-6,11H,3,7H2,1-2H3,(H,16,18,19)
InChIKeyRQNNCTDSLHWUAF-UHFFFAOYSA-N
MW278.28 g/mol
LogP1.01
Rot. Bonds2

About 3-ethyl-4-(5-fluoro-2-methylbenzoyl)piperazine-2,6-dione

3-ethyl-4-(5-fluoro-2-methylbenzoyl)piperazine-2,6-dione (PubChem CID 66068909) has the molecular formula C14H15FN2O3 and a molecular weight of 278.28 g/mol. Its IUPAC name is 3-ethyl-4-(5-fluoro-2-methylbenzoyl)piperazine-2,6-dione.

Molecular Properties

Compound Name3-ethyl-4-(5-fluoro-2-methylbenzoyl)piperazine-2,6-dione
PubChem CID66068909
Molecular FormulaC14H15FN2O3
Molecular Weight278.28 g/mol
Exact Mass278.11
IUPAC Name3-ethyl-4-(5-fluoro-2-methylbenzoyl)piperazine-2,6-dione
SMILESCCC1C(=O)NC(=O)CN1C(=O)c1cc(F)ccc1C
InChIInChI=1S/C14H15FN2O3/c1-3-11-13(19)16-12(18)7-17(11)14(20)10-6-9(15)5-4-8(10)2/h4-6,11H,3,7H2,1-2H3,(H,16,18,19)
InChIKeyRQNNCTDSLHWUAF-UHFFFAOYSA-N
XLogP1.01
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.28
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-(2,4-dimethylbenzoyl)-3-ethylpiperazine-2,6-dione
CID 66069864
N-(2,4-difluorophenyl)-2-ethyl-3,5-dioxopiperazine-1-carboxamide
CID 66067197
3-ethyl-4-(5-fluoropyridine-2-carbonyl)piperazine-2,6-dione
CID 104639186
3-ethyl-4-(2-hydrazinyl-5-methylbenzoyl)piperazine-2,6-dione
CID 66067067
4-(2-bromo-4-chlorobenzoyl)-3-ethylpiperazine-2,6-dione
CID 107988303
4-(3-amino-4-fluorobenzoyl)-3-ethylpiperazine-2,6-dione
CID 66067509
4-(2,5-difluorobenzoyl)-3-methylpiperazine-2,6-dione
CID 66063081
4-(2,3-dichlorobenzoyl)-3-ethylpiperazine-2,6-dione
CID 66069479
4-(4-amino-6-methylpyridine-3-carbonyl)-3-ethylpiperazine-2,6-dione
CID 81245392
3-ethyl-4-(1,2-oxazole-5-carbonyl)piperazine-2,6-dione
CID 66068922
4-(4-aminopyridine-3-carbonyl)-3-ethylpiperazine-2,6-dione
CID 81245317
4-(3,5-dichloro-2-iodobenzoyl)-3-ethylpiperazine-2,6-dione
CID 66067941

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-4-(5-fluoro-2-methylbenzoyl)piperazine-2,6-dione?
The IUPAC name of 3-ethyl-4-(5-fluoro-2-methylbenzoyl)piperazine-2,6-dione (CID 66068909) is 3-ethyl-4-(5-fluoro-2-methylbenzoyl)piperazine-2,6-dione.
What is the SMILES notation for 3-ethyl-4-(5-fluoro-2-methylbenzoyl)piperazine-2,6-dione?
The canonical SMILES for 3-ethyl-4-(5-fluoro-2-methylbenzoyl)piperazine-2,6-dione is CCC1C(=O)NC(=O)CN1C(=O)c1cc(F)ccc1C.
What is the InChIKey of 3-ethyl-4-(5-fluoro-2-methylbenzoyl)piperazine-2,6-dione?
The InChIKey is RQNNCTDSLHWUAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15FN2O3/c1-3-11-13(19)16-12(18)7-17(11)14(20)10-6-9(15)5-4-8(10)2/h4-6,11H,3,7H2,1-2H3,(H,16,18,19).
What are the key properties of 3-ethyl-4-(5-fluoro-2-methylbenzoyl)piperazine-2,6-dione?
3-ethyl-4-(5-fluoro-2-methylbenzoyl)piperazine-2,6-dione has a molecular weight of 278.28 g/mol, XLogP of 1.01, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-4-(5-fluoro-2-methylbenzoyl)piperazine-2,6-dione is sourced from PubChem (CID 66068909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).