1-(2-bromophenyl)-6-ethylpiperazine-2,5-dione

C12H13BrN2O2 — CID 64962424

IUPAC1-(2-bromophenyl)-6-ethylpiperazine-2,5-dione
SMILESCCC1C(=O)NCC(=O)N1c1ccccc1Br
InChIInChI=1S/C12H13BrN2O2/c1-2-9-12(17)14-7-11(16)15(9)10-6-4-3-5-8(10)13/h3-6,9H,2,7H2,1H3,(H,14,17)
InChIKeyLARQJUQKWDNSNP-UHFFFAOYSA-N
MW297.15 g/mol
LogP1.69
Rot. Bonds2

About 1-(2-bromophenyl)-6-ethylpiperazine-2,5-dione

1-(2-bromophenyl)-6-ethylpiperazine-2,5-dione (PubChem CID 64962424) has the molecular formula C12H13BrN2O2 and a molecular weight of 297.15 g/mol. Its IUPAC name is 1-(2-bromophenyl)-6-ethylpiperazine-2,5-dione.

Molecular Properties

Compound Name1-(2-bromophenyl)-6-ethylpiperazine-2,5-dione
PubChem CID64962424
Molecular FormulaC12H13BrN2O2
Molecular Weight297.15 g/mol
Exact Mass296.02
IUPAC Name1-(2-bromophenyl)-6-ethylpiperazine-2,5-dione
SMILESCCC1C(=O)NCC(=O)N1c1ccccc1Br
InChIInChI=1S/C12H13BrN2O2/c1-2-9-12(17)14-7-11(16)15(9)10-6-4-3-5-8(10)13/h3-6,9H,2,7H2,1H3,(H,14,17)
InChIKeyLARQJUQKWDNSNP-UHFFFAOYSA-N
XLogP1.69
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.15
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2-bromophenyl)-6-ethylpiperazine-2,5-dione?
The IUPAC name of 1-(2-bromophenyl)-6-ethylpiperazine-2,5-dione (CID 64962424) is 1-(2-bromophenyl)-6-ethylpiperazine-2,5-dione.
What is the SMILES notation for 1-(2-bromophenyl)-6-ethylpiperazine-2,5-dione?
The canonical SMILES for 1-(2-bromophenyl)-6-ethylpiperazine-2,5-dione is CCC1C(=O)NCC(=O)N1c1ccccc1Br.
What is the InChIKey of 1-(2-bromophenyl)-6-ethylpiperazine-2,5-dione?
The InChIKey is LARQJUQKWDNSNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13BrN2O2/c1-2-9-12(17)14-7-11(16)15(9)10-6-4-3-5-8(10)13/h3-6,9H,2,7H2,1H3,(H,14,17).
What are the key properties of 1-(2-bromophenyl)-6-ethylpiperazine-2,5-dione?
1-(2-bromophenyl)-6-ethylpiperazine-2,5-dione has a molecular weight of 297.15 g/mol, XLogP of 1.69, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromophenyl)-6-ethylpiperazine-2,5-dione is sourced from PubChem (CID 64962424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).