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

C16H21FN2O2 — CID 105375790

IUPAC3-ethyl-1-[(5-fluoro-2-methylphenyl)methyl]-3,6-dimethylpiperazine-2,5-dione
SMILESCCC1(C)NC(=O)C(C)N(Cc2cc(F)ccc2C)C1=O
InChIInChI=1S/C16H21FN2O2/c1-5-16(4)15(21)19(11(3)14(20)18-16)9-12-8-13(17)7-6-10(12)2/h6-8,11H,5,9H2,1-4H3,(H,18,20)
InChIKeyWMHXVURFNBZJPW-UHFFFAOYSA-N
MW292.35 g/mol
LogP2.15
Rot. Bonds3

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

3-ethyl-1-[(5-fluoro-2-methylphenyl)methyl]-3,6-dimethylpiperazine-2,5-dione (PubChem CID 105375790) has the molecular formula C16H21FN2O2 and a molecular weight of 292.35 g/mol. Its IUPAC name is 3-ethyl-1-[(5-fluoro-2-methylphenyl)methyl]-3,6-dimethylpiperazine-2,5-dione.

Molecular Properties

Compound Name3-ethyl-1-[(5-fluoro-2-methylphenyl)methyl]-3,6-dimethylpiperazine-2,5-dione
PubChem CID105375790
Molecular FormulaC16H21FN2O2
Molecular Weight292.35 g/mol
Exact Mass292.16
IUPAC Name3-ethyl-1-[(5-fluoro-2-methylphenyl)methyl]-3,6-dimethylpiperazine-2,5-dione
SMILESCCC1(C)NC(=O)C(C)N(Cc2cc(F)ccc2C)C1=O
InChIInChI=1S/C16H21FN2O2/c1-5-16(4)15(21)19(11(3)14(20)18-16)9-12-8-13(17)7-6-10(12)2/h6-8,11H,5,9H2,1-4H3,(H,18,20)
InChIKeyWMHXVURFNBZJPW-UHFFFAOYSA-N
XLogP2.15
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 ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(2,5-difluorophenyl)methyl]-3-ethyl-3,6-dimethylpiperazine-2,5-dione
CID 64885468
3-ethyl-3,6-dimethyl-1-[(4-methyl-3-pyridinyl)methyl]piperazine-2,5-dione
CID 114957745
3-ethyl-1-[(5-fluoro-2-methylphenyl)methyl]-3-methyl-1,4-diazepane-2,5-dione
CID 105375827
1-[(5-fluoro-2-methylphenyl)methyl]-6-methyl-3-propan-2-ylpiperazine-2,5-dione
CID 105375775
3,3-diethyl-6-methyl-1-[(2-methylphenyl)methyl]piperazine-2,5-dione
CID 64887687
1-(2-chloro-4-fluorophenyl)-3-ethyl-3,6-dimethylpiperazine-2,5-dione
CID 64961505
3-ethyl-1-(4-fluoro-2-iodophenyl)-3,6-dimethylpiperazine-2,5-dione
CID 79771236
1-(2-bromo-5-fluorophenyl)-3-ethyl-3,6-dimethylpiperazine-2,5-dione
CID 107640312
3-ethyl-1-(3-fluorophenyl)-3,6-dimethylpiperazine-2,5-dione
CID 64955381
1-(3,3-dimethylbutyl)-3-ethyl-3,6-dimethylpiperazine-2,5-dione
CID 64887569
1-(2,2-dimethylpropyl)-3-ethyl-3,6-dimethylpiperazine-2,5-dione
CID 64963887
3-ethyl-3,6-dimethyl-1-(1,3-thiazol-4-ylmethyl)piperazine-2,5-dione
CID 64971074

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1-[(5-fluoro-2-methylphenyl)methyl]-3,6-dimethylpiperazine-2,5-dione?
The IUPAC name of 3-ethyl-1-[(5-fluoro-2-methylphenyl)methyl]-3,6-dimethylpiperazine-2,5-dione (CID 105375790) is 3-ethyl-1-[(5-fluoro-2-methylphenyl)methyl]-3,6-dimethylpiperazine-2,5-dione.
What is the SMILES notation for 3-ethyl-1-[(5-fluoro-2-methylphenyl)methyl]-3,6-dimethylpiperazine-2,5-dione?
The canonical SMILES for 3-ethyl-1-[(5-fluoro-2-methylphenyl)methyl]-3,6-dimethylpiperazine-2,5-dione is CCC1(C)NC(=O)C(C)N(Cc2cc(F)ccc2C)C1=O.
What is the InChIKey of 3-ethyl-1-[(5-fluoro-2-methylphenyl)methyl]-3,6-dimethylpiperazine-2,5-dione?
The InChIKey is WMHXVURFNBZJPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21FN2O2/c1-5-16(4)15(21)19(11(3)14(20)18-16)9-12-8-13(17)7-6-10(12)2/h6-8,11H,5,9H2,1-4H3,(H,18,20).
What are the key properties of 3-ethyl-1-[(5-fluoro-2-methylphenyl)methyl]-3,6-dimethylpiperazine-2,5-dione?
3-ethyl-1-[(5-fluoro-2-methylphenyl)methyl]-3,6-dimethylpiperazine-2,5-dione has a molecular weight of 292.35 g/mol, XLogP of 2.15, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1-[(5-fluoro-2-methylphenyl)methyl]-3,6-dimethylpiperazine-2,5-dione is sourced from PubChem (CID 105375790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).