4-(4-bromophenyl)-3-methylpiperazine-2,6-dione

C11H11BrN2O2 — CID 82346677

IUPAC4-(4-bromophenyl)-3-methylpiperazine-2,6-dione
SMILESCC1C(=O)NC(=O)CN1c1ccc(Br)cc1
InChIInChI=1S/C11H11BrN2O2/c1-7-11(16)13-10(15)6-14(7)9-4-2-8(12)3-5-9/h2-5,7H,6H2,1H3,(H,13,15,16)
InChIKeyXAYVOPXZCOLVCY-UHFFFAOYSA-N
MW283.12 g/mol
LogP1.30
Rot. Bonds1

About 4-(4-bromophenyl)-3-methylpiperazine-2,6-dione

4-(4-bromophenyl)-3-methylpiperazine-2,6-dione (PubChem CID 82346677) has the molecular formula C11H11BrN2O2 and a molecular weight of 283.12 g/mol. Its IUPAC name is 4-(4-bromophenyl)-3-methylpiperazine-2,6-dione.

Molecular Properties

Compound Name4-(4-bromophenyl)-3-methylpiperazine-2,6-dione
PubChem CID82346677
Molecular FormulaC11H11BrN2O2
Molecular Weight283.12 g/mol
Exact Mass282.00
IUPAC Name4-(4-bromophenyl)-3-methylpiperazine-2,6-dione
SMILESCC1C(=O)NC(=O)CN1c1ccc(Br)cc1
InChIInChI=1S/C11H11BrN2O2/c1-7-11(16)13-10(15)6-14(7)9-4-2-8(12)3-5-9/h2-5,7H,6H2,1H3,(H,13,15,16)
InChIKeyXAYVOPXZCOLVCY-UHFFFAOYSA-N
XLogP1.30
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.12
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(4-bromophenyl)-3-methylpiperazine-2,6-dione?
The IUPAC name of 4-(4-bromophenyl)-3-methylpiperazine-2,6-dione (CID 82346677) is 4-(4-bromophenyl)-3-methylpiperazine-2,6-dione.
What is the SMILES notation for 4-(4-bromophenyl)-3-methylpiperazine-2,6-dione?
The canonical SMILES for 4-(4-bromophenyl)-3-methylpiperazine-2,6-dione is CC1C(=O)NC(=O)CN1c1ccc(Br)cc1.
What is the InChIKey of 4-(4-bromophenyl)-3-methylpiperazine-2,6-dione?
The InChIKey is XAYVOPXZCOLVCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrN2O2/c1-7-11(16)13-10(15)6-14(7)9-4-2-8(12)3-5-9/h2-5,7H,6H2,1H3,(H,13,15,16).
What are the key properties of 4-(4-bromophenyl)-3-methylpiperazine-2,6-dione?
4-(4-bromophenyl)-3-methylpiperazine-2,6-dione has a molecular weight of 283.12 g/mol, XLogP of 1.30, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-bromophenyl)-3-methylpiperazine-2,6-dione is sourced from PubChem (CID 82346677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).