1,4-bis(4-bromophenyl)piperazine-2,5-dione

C16H12Br2N2O2 — CID 1284835

IUPAC1,4-bis(4-bromophenyl)piperazine-2,5-dione
SMILESO=C1CN(c2ccc(Br)cc2)C(=O)CN1c1ccc(Br)cc1
InChIInChI=1S/C16H12Br2N2O2/c17-11-1-5-13(6-2-11)19-9-16(22)20(10-15(19)21)14-7-3-12(18)4-8-14/h1-8H,9-10H2
InChIKeyUQKBMRDVAJNSPW-UHFFFAOYSA-N
MW424.09 g/mol
LogP3.59
Rot. Bonds2

About 1,4-bis(4-bromophenyl)piperazine-2,5-dione

1,4-bis(4-bromophenyl)piperazine-2,5-dione (PubChem CID 1284835) has the molecular formula C16H12Br2N2O2 and a molecular weight of 424.09 g/mol. Its IUPAC name is 1,4-bis(4-bromophenyl)piperazine-2,5-dione.

Molecular Properties

Compound Name1,4-bis(4-bromophenyl)piperazine-2,5-dione
PubChem CID1284835
Molecular FormulaC16H12Br2N2O2
Molecular Weight424.09 g/mol
Exact Mass421.93
IUPAC Name1,4-bis(4-bromophenyl)piperazine-2,5-dione
SMILESO=C1CN(c2ccc(Br)cc2)C(=O)CN1c1ccc(Br)cc1
InChIInChI=1S/C16H12Br2N2O2/c17-11-1-5-13(6-2-11)19-9-16(22)20(10-15(19)21)14-7-3-12(18)4-8-14/h1-8H,9-10H2
InChIKeyUQKBMRDVAJNSPW-UHFFFAOYSA-N
XLogP3.59
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.09
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,4-bis(4-bromophenyl)piperazine-2,5-dione?
The IUPAC name of 1,4-bis(4-bromophenyl)piperazine-2,5-dione (CID 1284835) is 1,4-bis(4-bromophenyl)piperazine-2,5-dione.
What is the SMILES notation for 1,4-bis(4-bromophenyl)piperazine-2,5-dione?
The canonical SMILES for 1,4-bis(4-bromophenyl)piperazine-2,5-dione is O=C1CN(c2ccc(Br)cc2)C(=O)CN1c1ccc(Br)cc1.
What is the InChIKey of 1,4-bis(4-bromophenyl)piperazine-2,5-dione?
The InChIKey is UQKBMRDVAJNSPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12Br2N2O2/c17-11-1-5-13(6-2-11)19-9-16(22)20(10-15(19)21)14-7-3-12(18)4-8-14/h1-8H,9-10H2.
What are the key properties of 1,4-bis(4-bromophenyl)piperazine-2,5-dione?
1,4-bis(4-bromophenyl)piperazine-2,5-dione has a molecular weight of 424.09 g/mol, XLogP of 3.59, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-bis(4-bromophenyl)piperazine-2,5-dione is sourced from PubChem (CID 1284835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).