1-(4-bromo-3-methylphenyl)-6-ethylpiperazine-2,5-dione

C13H15BrN2O2 — CID 64962294

IUPAC1-(4-bromo-3-methylphenyl)-6-ethylpiperazine-2,5-dione
SMILESCCC1C(=O)NCC(=O)N1c1ccc(Br)c(C)c1
InChIInChI=1S/C13H15BrN2O2/c1-3-11-13(18)15-7-12(17)16(11)9-4-5-10(14)8(2)6-9/h4-6,11H,3,7H2,1-2H3,(H,15,18)
InChIKeyRZQFRXMSUNAFQR-UHFFFAOYSA-N
MW311.18 g/mol
LogP2.00
Rot. Bonds2

About 1-(4-bromo-3-methylphenyl)-6-ethylpiperazine-2,5-dione

1-(4-bromo-3-methylphenyl)-6-ethylpiperazine-2,5-dione (PubChem CID 64962294) has the molecular formula C13H15BrN2O2 and a molecular weight of 311.18 g/mol. Its IUPAC name is 1-(4-bromo-3-methylphenyl)-6-ethylpiperazine-2,5-dione.

Molecular Properties

Compound Name1-(4-bromo-3-methylphenyl)-6-ethylpiperazine-2,5-dione
PubChem CID64962294
Molecular FormulaC13H15BrN2O2
Molecular Weight311.18 g/mol
Exact Mass310.03
IUPAC Name1-(4-bromo-3-methylphenyl)-6-ethylpiperazine-2,5-dione
SMILESCCC1C(=O)NCC(=O)N1c1ccc(Br)c(C)c1
InChIInChI=1S/C13H15BrN2O2/c1-3-11-13(18)15-7-12(17)16(11)9-4-5-10(14)8(2)6-9/h4-6,11H,3,7H2,1-2H3,(H,15,18)
InChIKeyRZQFRXMSUNAFQR-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-bromo-5-methylphenyl)-6-ethylpiperazine-2,5-dione
CID 82758495
1-(2-bromophenyl)-6-ethylpiperazine-2,5-dione
CID 64962424
3-(aminomethyl)-4-(4-bromo-3-methylphenyl)-6-methyl-1,4-diazepan-2-one
CID 84607013
6-ethyl-1-(2,4,5-trifluorophenyl)piperazine-2,5-dione
CID 64969761
1-[(2-bromo-5-methoxyphenyl)methyl]-6-ethylpiperazine-2,5-dione
CID 65331442
2-[1-(4-bromo-3-methylphenyl)-6-methyl-3-oxopiperazin-2-yl]acetonitrile
CID 84604822
1-(2,6-dichloro-4-fluorophenyl)-6-ethylpiperazine-2,5-dione
CID 83081530
3-(aminomethyl)-4-(4-bromo-3-methylphenyl)-1-methyl-1,4-diazepan-2-one
CID 84606981
1-(4-bromo-3-methylphenyl)-5-methyl-4-(methylaminomethyl)pyrrolidin-2-one
CID 117022633
1-(3,4-dimethylphenyl)-6-ethyl-3,3-dimethylpiperazine-2,5-dione
CID 64958635
10-(4-bromo-3-methylphenyl)-4,10-diazatricyclo[5.2.1.02,6]decane-3,5-dione
CID 142660493
(4S)-4-amino-1-(4-bromo-3-methylphenyl)pyrrolidin-2-one
CID 93094958

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-3-methylphenyl)-6-ethylpiperazine-2,5-dione?
The IUPAC name of 1-(4-bromo-3-methylphenyl)-6-ethylpiperazine-2,5-dione (CID 64962294) is 1-(4-bromo-3-methylphenyl)-6-ethylpiperazine-2,5-dione.
What is the SMILES notation for 1-(4-bromo-3-methylphenyl)-6-ethylpiperazine-2,5-dione?
The canonical SMILES for 1-(4-bromo-3-methylphenyl)-6-ethylpiperazine-2,5-dione is CCC1C(=O)NCC(=O)N1c1ccc(Br)c(C)c1.
What is the InChIKey of 1-(4-bromo-3-methylphenyl)-6-ethylpiperazine-2,5-dione?
The InChIKey is RZQFRXMSUNAFQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15BrN2O2/c1-3-11-13(18)15-7-12(17)16(11)9-4-5-10(14)8(2)6-9/h4-6,11H,3,7H2,1-2H3,(H,15,18).
What are the key properties of 1-(4-bromo-3-methylphenyl)-6-ethylpiperazine-2,5-dione?
1-(4-bromo-3-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-(4-bromo-3-methylphenyl)-6-ethylpiperazine-2,5-dione is sourced from PubChem (CID 64962294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).