1-(4-bromophenyl)-4-methylpiperidine-2,6-dione

C12H12BrNO2 — CID 2732331

IUPAC1-(4-bromophenyl)-4-methylpiperidine-2,6-dione
SMILESCC1CC(=O)N(c2ccc(Br)cc2)C(=O)C1
InChIInChI=1S/C12H12BrNO2/c1-8-6-11(15)14(12(16)7-8)10-4-2-9(13)3-5-10/h2-5,8H,6-7H2,1H3
InChIKeyJUGMAUSRTZHCCY-UHFFFAOYSA-N
MW282.14 g/mol
LogP2.74
Rot. Bonds1

About 1-(4-bromophenyl)-4-methylpiperidine-2,6-dione

1-(4-bromophenyl)-4-methylpiperidine-2,6-dione (PubChem CID 2732331) has the molecular formula C12H12BrNO2 and a molecular weight of 282.14 g/mol. Its IUPAC name is 1-(4-bromophenyl)-4-methylpiperidine-2,6-dione.

Molecular Properties

Compound Name1-(4-bromophenyl)-4-methylpiperidine-2,6-dione
PubChem CID2732331
Molecular FormulaC12H12BrNO2
Molecular Weight282.14 g/mol
Exact Mass281.01
IUPAC Name1-(4-bromophenyl)-4-methylpiperidine-2,6-dione
SMILESCC1CC(=O)N(c2ccc(Br)cc2)C(=O)C1
InChIInChI=1S/C12H12BrNO2/c1-8-6-11(15)14(12(16)7-8)10-4-2-9(13)3-5-10/h2-5,8H,6-7H2,1H3
InChIKeyJUGMAUSRTZHCCY-UHFFFAOYSA-N
XLogP2.74
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.14
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-(4-bromophenyl)-4-methylpiperidine-2,6-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)-4-methylpiperidine-2,6-dione?
The IUPAC name of 1-(4-bromophenyl)-4-methylpiperidine-2,6-dione (CID 2732331) is 1-(4-bromophenyl)-4-methylpiperidine-2,6-dione.
What is the SMILES notation for 1-(4-bromophenyl)-4-methylpiperidine-2,6-dione?
The canonical SMILES for 1-(4-bromophenyl)-4-methylpiperidine-2,6-dione is CC1CC(=O)N(c2ccc(Br)cc2)C(=O)C1.
What is the InChIKey of 1-(4-bromophenyl)-4-methylpiperidine-2,6-dione?
The InChIKey is JUGMAUSRTZHCCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12BrNO2/c1-8-6-11(15)14(12(16)7-8)10-4-2-9(13)3-5-10/h2-5,8H,6-7H2,1H3.
What are the key properties of 1-(4-bromophenyl)-4-methylpiperidine-2,6-dione?
1-(4-bromophenyl)-4-methylpiperidine-2,6-dione has a molecular weight of 282.14 g/mol, XLogP of 2.74, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromophenyl)-4-methylpiperidine-2,6-dione is sourced from PubChem (CID 2732331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).