1-(2-bromo-5-methylphenyl)-6-ethylpiperazine-2,5-dione

C13H15BrN2O2 — CID 82758495

IUPAC1-(2-bromo-5-methylphenyl)-6-ethylpiperazine-2,5-dione
SMILESCCC1C(=O)NCC(=O)N1c1cc(C)ccc1Br
InChIInChI=1S/C13H15BrN2O2/c1-3-10-13(18)15-7-12(17)16(10)11-6-8(2)4-5-9(11)14/h4-6,10H,3,7H2,1-2H3,(H,15,18)
InChIKeyFRZXMCNGJWRFKC-UHFFFAOYSA-N
MW311.18 g/mol
LogP2.00
Rot. Bonds2

About 1-(2-bromo-5-methylphenyl)-6-ethylpiperazine-2,5-dione

1-(2-bromo-5-methylphenyl)-6-ethylpiperazine-2,5-dione (PubChem CID 82758495) has the molecular formula C13H15BrN2O2 and a molecular weight of 311.18 g/mol. Its IUPAC name is 1-(2-bromo-5-methylphenyl)-6-ethylpiperazine-2,5-dione.

Molecular Properties

Compound Name1-(2-bromo-5-methylphenyl)-6-ethylpiperazine-2,5-dione
PubChem CID82758495
Molecular FormulaC13H15BrN2O2
Molecular Weight311.18 g/mol
Exact Mass310.03
IUPAC Name1-(2-bromo-5-methylphenyl)-6-ethylpiperazine-2,5-dione
SMILESCCC1C(=O)NCC(=O)N1c1cc(C)ccc1Br
InChIInChI=1S/C13H15BrN2O2/c1-3-10-13(18)15-7-12(17)16(10)11-6-8(2)4-5-9(11)14/h4-6,10H,3,7H2,1-2H3,(H,15,18)
InChIKeyFRZXMCNGJWRFKC-UHFFFAOYSA-N
XLogP2.00
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.18
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-bromophenyl)-6-ethylpiperazine-2,5-dione
CID 64962424
1-(4-bromo-3-methylphenyl)-6-ethylpiperazine-2,5-dione
CID 64962294
1-(2-bromo-5-methylphenyl)-6-ethyl-3,3-dimethylpiperazine-2,5-dione
CID 82758894
6-ethyl-1-(2,4,5-trifluorophenyl)piperazine-2,5-dione
CID 64969761
1-(2-bromo-5-methylphenyl)piperazine-2,5-dione
CID 82758291
1-(2-bromo-5-methylphenyl)-1,4-diazepane-2,5-dione
CID 82759106
1-(2-bromo-5-methylphenyl)-3-ethyl-6-propan-2-ylpiperazine-2,5-dione
CID 82749874
6-ethyl-1-[(2-methoxy-5-methylphenyl)methyl]piperazine-2,5-dione
CID 64879658
6-ethyl-1-(3-ethyl-1-methylpyrazol-4-yl)piperazine-2,5-dione
CID 107464990
1-(2,6-dichloro-4-fluorophenyl)-6-ethylpiperazine-2,5-dione
CID 83081530
1-[(2-bromo-5-methoxyphenyl)methyl]-6-ethylpiperazine-2,5-dione
CID 65331442
2-(2-bromo-5-methylphenyl)-5-ethyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione
CID 114512738

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromo-5-methylphenyl)-6-ethylpiperazine-2,5-dione?
The IUPAC name of 1-(2-bromo-5-methylphenyl)-6-ethylpiperazine-2,5-dione (CID 82758495) is 1-(2-bromo-5-methylphenyl)-6-ethylpiperazine-2,5-dione.
What is the SMILES notation for 1-(2-bromo-5-methylphenyl)-6-ethylpiperazine-2,5-dione?
The canonical SMILES for 1-(2-bromo-5-methylphenyl)-6-ethylpiperazine-2,5-dione is CCC1C(=O)NCC(=O)N1c1cc(C)ccc1Br.
What is the InChIKey of 1-(2-bromo-5-methylphenyl)-6-ethylpiperazine-2,5-dione?
The InChIKey is FRZXMCNGJWRFKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15BrN2O2/c1-3-10-13(18)15-7-12(17)16(10)11-6-8(2)4-5-9(11)14/h4-6,10H,3,7H2,1-2H3,(H,15,18).
What are the key properties of 1-(2-bromo-5-methylphenyl)-6-ethylpiperazine-2,5-dione?
1-(2-bromo-5-methylphenyl)-6-ethylpiperazine-2,5-dione has a molecular weight of 311.18 g/mol, XLogP of 2.00, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromo-5-methylphenyl)-6-ethylpiperazine-2,5-dione is sourced from PubChem (CID 82758495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).