3,6-diethyl-1-(3-fluoro-5-methylphenyl)-3-methylpiperazine-2,5-dione

C16H21FN2O2 — CID 79046562

IUPAC3,6-diethyl-1-(3-fluoro-5-methylphenyl)-3-methylpiperazine-2,5-dione
SMILESCCC1C(=O)NC(C)(CC)C(=O)N1c1cc(C)cc(F)c1
InChIInChI=1S/C16H21FN2O2/c1-5-13-14(20)18-16(4,6-2)15(21)19(13)12-8-10(3)7-11(17)9-12/h7-9,13H,5-6H2,1-4H3,(H,18,20)
InChIKeyBNTUUDGUFQMYAS-UHFFFAOYSA-N
MW292.35 g/mol
LogP2.54
Rot. Bonds3

About 3,6-diethyl-1-(3-fluoro-5-methylphenyl)-3-methylpiperazine-2,5-dione

3,6-diethyl-1-(3-fluoro-5-methylphenyl)-3-methylpiperazine-2,5-dione (PubChem CID 79046562) has the molecular formula C16H21FN2O2 and a molecular weight of 292.35 g/mol. Its IUPAC name is 3,6-diethyl-1-(3-fluoro-5-methylphenyl)-3-methylpiperazine-2,5-dione.

Molecular Properties

Compound Name3,6-diethyl-1-(3-fluoro-5-methylphenyl)-3-methylpiperazine-2,5-dione
PubChem CID79046562
Molecular FormulaC16H21FN2O2
Molecular Weight292.35 g/mol
Exact Mass292.16
IUPAC Name3,6-diethyl-1-(3-fluoro-5-methylphenyl)-3-methylpiperazine-2,5-dione
SMILESCCC1C(=O)NC(C)(CC)C(=O)N1c1cc(C)cc(F)c1
InChIInChI=1S/C16H21FN2O2/c1-5-13-14(20)18-16(4,6-2)15(21)19(13)12-8-10(3)7-11(17)9-12/h7-9,13H,5-6H2,1-4H3,(H,18,20)
InChIKeyBNTUUDGUFQMYAS-UHFFFAOYSA-N
XLogP2.54
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.35
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3,4-dimethylphenyl)-3,6-diethyl-3-methylpiperazine-2,5-dione
CID 64958611
1-(2-chloro-4-methylphenyl)-3,6-diethyl-3-methylpiperazine-2,5-dione
CID 64962763
3-ethyl-1-(3-fluorophenyl)-3,6-dimethylpiperazine-2,5-dione
CID 64955381
1-(3,5-dichloro-4-fluorophenyl)-3-ethyl-3,6-dimethylpiperazine-2,5-dione
CID 107580227
1-(2-chloro-6-methylphenyl)-3,6-diethyl-3-methylpiperazine-2,5-dione
CID 66255501
3,6-diethyl-3-methyl-1-(2-methylpropyl)piperazine-2,5-dione
CID 64886046
3-cyclopropyl-6-ethyl-1-(4-fluorophenyl)-3-methylpiperazine-2,5-dione
CID 64957444
3,6-diethyl-3-methyl-1-[(5-methyl-3-pyridinyl)methyl]piperazine-2,5-dione
CID 102879760
6-ethyl-1-(2-fluoro-5-methylphenyl)-3,3-dimethylpiperazine-2,5-dione
CID 64960018
1-(3,4-dimethylphenyl)-6-ethyl-3,3-dimethylpiperazine-2,5-dione
CID 64958635
3-cyclopropyl-6-ethyl-3-methyl-1-(5-methyl-3-pyridinyl)piperazine-2,5-dione
CID 107586974
1-(2-chloro-4,6-difluorophenyl)-3-ethyl-3,6-dimethylpiperazine-2,5-dione
CID 83075422

Frequently Asked Questions

What is the IUPAC name of 3,6-diethyl-1-(3-fluoro-5-methylphenyl)-3-methylpiperazine-2,5-dione?
The IUPAC name of 3,6-diethyl-1-(3-fluoro-5-methylphenyl)-3-methylpiperazine-2,5-dione (CID 79046562) is 3,6-diethyl-1-(3-fluoro-5-methylphenyl)-3-methylpiperazine-2,5-dione.
What is the SMILES notation for 3,6-diethyl-1-(3-fluoro-5-methylphenyl)-3-methylpiperazine-2,5-dione?
The canonical SMILES for 3,6-diethyl-1-(3-fluoro-5-methylphenyl)-3-methylpiperazine-2,5-dione is CCC1C(=O)NC(C)(CC)C(=O)N1c1cc(C)cc(F)c1.
What is the InChIKey of 3,6-diethyl-1-(3-fluoro-5-methylphenyl)-3-methylpiperazine-2,5-dione?
The InChIKey is BNTUUDGUFQMYAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21FN2O2/c1-5-13-14(20)18-16(4,6-2)15(21)19(13)12-8-10(3)7-11(17)9-12/h7-9,13H,5-6H2,1-4H3,(H,18,20).
What are the key properties of 3,6-diethyl-1-(3-fluoro-5-methylphenyl)-3-methylpiperazine-2,5-dione?
3,6-diethyl-1-(3-fluoro-5-methylphenyl)-3-methylpiperazine-2,5-dione has a molecular weight of 292.35 g/mol, XLogP of 2.54, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-diethyl-1-(3-fluoro-5-methylphenyl)-3-methylpiperazine-2,5-dione is sourced from PubChem (CID 79046562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).