1-(2,6-dibromophenyl)-6-ethyl-3-propan-2-ylpiperazine-2,5-dione

C15H18Br2N2O2 — CID 107604069

IUPAC1-(2,6-dibromophenyl)-6-ethyl-3-propan-2-ylpiperazine-2,5-dione
SMILESCCC1C(=O)NC(C(C)C)C(=O)N1c1c(Br)cccc1Br
InChIInChI=1S/C15H18Br2N2O2/c1-4-11-14(20)18-12(8(2)3)15(21)19(11)13-9(16)6-5-7-10(13)17/h5-8,11-12H,4H2,1-3H3,(H,18,20)
InChIKeyJMZGFQLMGCEIKO-UHFFFAOYSA-N
MW418.13 g/mol
LogP3.48
Rot. Bonds3

About 1-(2,6-dibromophenyl)-6-ethyl-3-propan-2-ylpiperazine-2,5-dione

1-(2,6-dibromophenyl)-6-ethyl-3-propan-2-ylpiperazine-2,5-dione (PubChem CID 107604069) has the molecular formula C15H18Br2N2O2 and a molecular weight of 418.13 g/mol. Its IUPAC name is 1-(2,6-dibromophenyl)-6-ethyl-3-propan-2-ylpiperazine-2,5-dione.

Molecular Properties

Compound Name1-(2,6-dibromophenyl)-6-ethyl-3-propan-2-ylpiperazine-2,5-dione
PubChem CID107604069
Molecular FormulaC15H18Br2N2O2
Molecular Weight418.13 g/mol
Exact Mass415.97
IUPAC Name1-(2,6-dibromophenyl)-6-ethyl-3-propan-2-ylpiperazine-2,5-dione
SMILESCCC1C(=O)NC(C(C)C)C(=O)N1c1c(Br)cccc1Br
InChIInChI=1S/C15H18Br2N2O2/c1-4-11-14(20)18-12(8(2)3)15(21)19(11)13-9(16)6-5-7-10(13)17/h5-8,11-12H,4H2,1-3H3,(H,18,20)
InChIKeyJMZGFQLMGCEIKO-UHFFFAOYSA-N
XLogP3.48
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.13
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2,6-dibromophenyl)-6-ethyl-3-propan-2-ylpiperazine-2,5-dione?
The IUPAC name of 1-(2,6-dibromophenyl)-6-ethyl-3-propan-2-ylpiperazine-2,5-dione (CID 107604069) is 1-(2,6-dibromophenyl)-6-ethyl-3-propan-2-ylpiperazine-2,5-dione.
What is the SMILES notation for 1-(2,6-dibromophenyl)-6-ethyl-3-propan-2-ylpiperazine-2,5-dione?
The canonical SMILES for 1-(2,6-dibromophenyl)-6-ethyl-3-propan-2-ylpiperazine-2,5-dione is CCC1C(=O)NC(C(C)C)C(=O)N1c1c(Br)cccc1Br.
What is the InChIKey of 1-(2,6-dibromophenyl)-6-ethyl-3-propan-2-ylpiperazine-2,5-dione?
The InChIKey is JMZGFQLMGCEIKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18Br2N2O2/c1-4-11-14(20)18-12(8(2)3)15(21)19(11)13-9(16)6-5-7-10(13)17/h5-8,11-12H,4H2,1-3H3,(H,18,20).
What are the key properties of 1-(2,6-dibromophenyl)-6-ethyl-3-propan-2-ylpiperazine-2,5-dione?
1-(2,6-dibromophenyl)-6-ethyl-3-propan-2-ylpiperazine-2,5-dione has a molecular weight of 418.13 g/mol, XLogP of 3.48, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-dibromophenyl)-6-ethyl-3-propan-2-ylpiperazine-2,5-dione is sourced from PubChem (CID 107604069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).