6-ethyl-1-(2-fluoro-5-methylphenyl)-3,3-dimethylpiperazine-2,5-dione

C15H19FN2O2 — CID 64960018

IUPAC6-ethyl-1-(2-fluoro-5-methylphenyl)-3,3-dimethylpiperazine-2,5-dione
SMILESCCC1C(=O)NC(C)(C)C(=O)N1c1cc(C)ccc1F
InChIInChI=1S/C15H19FN2O2/c1-5-11-13(19)17-15(3,4)14(20)18(11)12-8-9(2)6-7-10(12)16/h6-8,11H,5H2,1-4H3,(H,17,19)
InChIKeyGSQNGHGRRGFIPL-UHFFFAOYSA-N
MW278.33 g/mol
LogP2.15
Rot. Bonds2

About 6-ethyl-1-(2-fluoro-5-methylphenyl)-3,3-dimethylpiperazine-2,5-dione

6-ethyl-1-(2-fluoro-5-methylphenyl)-3,3-dimethylpiperazine-2,5-dione (PubChem CID 64960018) has the molecular formula C15H19FN2O2 and a molecular weight of 278.33 g/mol. Its IUPAC name is 6-ethyl-1-(2-fluoro-5-methylphenyl)-3,3-dimethylpiperazine-2,5-dione.

Molecular Properties

Compound Name6-ethyl-1-(2-fluoro-5-methylphenyl)-3,3-dimethylpiperazine-2,5-dione
PubChem CID64960018
Molecular FormulaC15H19FN2O2
Molecular Weight278.33 g/mol
Exact Mass278.14
IUPAC Name6-ethyl-1-(2-fluoro-5-methylphenyl)-3,3-dimethylpiperazine-2,5-dione
SMILESCCC1C(=O)NC(C)(C)C(=O)N1c1cc(C)ccc1F
InChIInChI=1S/C15H19FN2O2/c1-5-11-13(19)17-15(3,4)14(20)18(11)12-8-9(2)6-7-10(12)16/h6-8,11H,5H2,1-4H3,(H,17,19)
InChIKeyGSQNGHGRRGFIPL-UHFFFAOYSA-N
XLogP2.15
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.33
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 6-ethyl-1-(2-fluoro-5-methylphenyl)-3,3-dimethylpiperazine-2,5-dione with MolForge

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Related Compounds

1-(5-bromo-2-fluorophenyl)-6-ethyl-3,3-dimethylpiperazine-2,5-dione
CID 64961092
1-(2-bromo-5-methylphenyl)-6-ethyl-3,3-dimethylpiperazine-2,5-dione
CID 82758894
6-ethyl-3,3-dimethyl-1-(2,3,4-trifluorophenyl)piperazine-2,5-dione
CID 64956770
6-ethyl-1-(4-fluoro-2-iodophenyl)-3,3-dimethylpiperazine-2,5-dione
CID 79771426
1-(2-bromo-5-fluorophenyl)-6-ethyl-3,3-dimethylpiperazine-2,5-dione
CID 107640353
6-ethyl-1-(4-fluoro-3-methoxyphenyl)-3,3-dimethylpiperazine-2,5-dione
CID 114841009
1-(2,3-dimethylphenyl)-6-ethyl-3,3-dimethylpiperazine-2,5-dione
CID 64958674
1-(3,4-dimethylphenyl)-6-ethyl-3,3-dimethylpiperazine-2,5-dione
CID 64958635
1-(4-bromo-2-chlorophenyl)-6-ethyl-3,3-dimethylpiperazine-2,5-dione
CID 64963273
1-(2-chloro-4-methylphenyl)-3,6-diethyl-3-methylpiperazine-2,5-dione
CID 64962763
1-(2-fluoro-5-methylphenyl)-3,3-dimethylpiperazine-2,5-dione
CID 64960006
6-ethyl-1-(2-fluoro-4-methylphenyl)-3-methylpiperazine-2,5-dione
CID 64960027

Frequently Asked Questions

What is the IUPAC name of 6-ethyl-1-(2-fluoro-5-methylphenyl)-3,3-dimethylpiperazine-2,5-dione?
The IUPAC name of 6-ethyl-1-(2-fluoro-5-methylphenyl)-3,3-dimethylpiperazine-2,5-dione (CID 64960018) is 6-ethyl-1-(2-fluoro-5-methylphenyl)-3,3-dimethylpiperazine-2,5-dione.
What is the SMILES notation for 6-ethyl-1-(2-fluoro-5-methylphenyl)-3,3-dimethylpiperazine-2,5-dione?
The canonical SMILES for 6-ethyl-1-(2-fluoro-5-methylphenyl)-3,3-dimethylpiperazine-2,5-dione is CCC1C(=O)NC(C)(C)C(=O)N1c1cc(C)ccc1F.
What is the InChIKey of 6-ethyl-1-(2-fluoro-5-methylphenyl)-3,3-dimethylpiperazine-2,5-dione?
The InChIKey is GSQNGHGRRGFIPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19FN2O2/c1-5-11-13(19)17-15(3,4)14(20)18(11)12-8-9(2)6-7-10(12)16/h6-8,11H,5H2,1-4H3,(H,17,19).
What are the key properties of 6-ethyl-1-(2-fluoro-5-methylphenyl)-3,3-dimethylpiperazine-2,5-dione?
6-ethyl-1-(2-fluoro-5-methylphenyl)-3,3-dimethylpiperazine-2,5-dione has a molecular weight of 278.33 g/mol, XLogP of 2.15, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-1-(2-fluoro-5-methylphenyl)-3,3-dimethylpiperazine-2,5-dione is sourced from PubChem (CID 64960018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).