4-bromopiperidine-2,6-dione

C5H6BrNO2 — CID 22351194

IUPAC4-bromopiperidine-2,6-dione
SMILESO=C1CC(Br)CC(=O)N1
InChIInChI=1S/C5H6BrNO2/c6-3-1-4(8)7-5(9)2-3/h3H,1-2H2,(H,7,8,9)
InChIKeyBMZYKOJCIOOVGY-UHFFFAOYSA-N
MW192.01 g/mol
LogP0.19
Rot. Bonds

About 4-bromopiperidine-2,6-dione

4-bromopiperidine-2,6-dione (PubChem CID 22351194) has the molecular formula C5H6BrNO2 and a molecular weight of 192.01 g/mol. Its IUPAC name is 4-bromopiperidine-2,6-dione.

Molecular Properties

Compound Name4-bromopiperidine-2,6-dione
PubChem CID22351194
Molecular FormulaC5H6BrNO2
Molecular Weight192.01 g/mol
Exact Mass190.96
IUPAC Name4-bromopiperidine-2,6-dione
SMILESO=C1CC(Br)CC(=O)N1
InChIInChI=1S/C5H6BrNO2/c6-3-1-4(8)7-5(9)2-3/h3H,1-2H2,(H,7,8,9)
InChIKeyBMZYKOJCIOOVGY-UHFFFAOYSA-N
XLogP0.19
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.01
LogP ≤ 50.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4-bromopiperidine-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 4-bromopiperidine-2,6-dione?
The IUPAC name of 4-bromopiperidine-2,6-dione (CID 22351194) is 4-bromopiperidine-2,6-dione.
What is the SMILES notation for 4-bromopiperidine-2,6-dione?
The canonical SMILES for 4-bromopiperidine-2,6-dione is O=C1CC(Br)CC(=O)N1.
What is the InChIKey of 4-bromopiperidine-2,6-dione?
The InChIKey is BMZYKOJCIOOVGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6BrNO2/c6-3-1-4(8)7-5(9)2-3/h3H,1-2H2,(H,7,8,9).
What are the key properties of 4-bromopiperidine-2,6-dione?
4-bromopiperidine-2,6-dione has a molecular weight of 192.01 g/mol, XLogP of 0.19, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromopiperidine-2,6-dione is sourced from PubChem (CID 22351194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).