6-bromo-1-(3-oxo-3-piperazin-1-ylpropyl)pyridin-2-one

C12H16BrN3O2 — CID 94751445

IUPAC6-bromo-1-(3-oxo-3-piperazin-1-ylpropyl)pyridin-2-one
SMILESO=C(CCn1c(Br)cccc1=O)N1CCNCC1
InChIInChI=1S/C12H16BrN3O2/c13-10-2-1-3-12(18)16(10)7-4-11(17)15-8-5-14-6-9-15/h1-3,14H,4-9H2
InChIKeyUUILBWCPXAMZFP-UHFFFAOYSA-N
MW314.18 g/mol
LogP0.43
Rot. Bonds3

About 6-bromo-1-(3-oxo-3-piperazin-1-ylpropyl)pyridin-2-one

6-bromo-1-(3-oxo-3-piperazin-1-ylpropyl)pyridin-2-one (PubChem CID 94751445) has the molecular formula C12H16BrN3O2 and a molecular weight of 314.18 g/mol. Its IUPAC name is 6-bromo-1-(3-oxo-3-piperazin-1-ylpropyl)pyridin-2-one.

Molecular Properties

Compound Name6-bromo-1-(3-oxo-3-piperazin-1-ylpropyl)pyridin-2-one
PubChem CID94751445
Molecular FormulaC12H16BrN3O2
Molecular Weight314.18 g/mol
Exact Mass313.04
IUPAC Name6-bromo-1-(3-oxo-3-piperazin-1-ylpropyl)pyridin-2-one
SMILESO=C(CCn1c(Br)cccc1=O)N1CCNCC1
InChIInChI=1S/C12H16BrN3O2/c13-10-2-1-3-12(18)16(10)7-4-11(17)15-8-5-14-6-9-15/h1-3,14H,4-9H2
InChIKeyUUILBWCPXAMZFP-UHFFFAOYSA-N
XLogP0.43
TPSA54.34 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.18
LogP ≤ 50.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze 6-bromo-1-(3-oxo-3-piperazin-1-ylpropyl)pyridin-2-one with MolForge

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

Launch Full Analysis

Related Compounds

5-bromo-1-(3-oxo-3-piperazin-1-ylpropyl)pyridin-2-one
CID 39147647
1-piperazin-1-yl-3-pyrrol-1-ylpropan-1-one
CID 82507429
6-methyl-2-oxo-1-(3-oxo-3-piperazin-1-ylpropyl)pyridine-3-carbonitrile
CID 82147361
5-fluoro-1-(3-oxo-3-piperazin-1-ylpropyl)pyridin-2-one
CID 82147365
3-(3-bromophenyl)-1-piperazin-1-ylpropan-1-one;hydrochloride
CID 119402089
4-(3-oxo-3-piperazin-1-ylpropyl)morpholine-3,5-dione
CID 62542610
4-(3-oxo-3-piperazin-1-ylpropyl)-1,4-benzoxazin-3-one
CID 39163207
3-(2,6-dimethylphenyl)-1-piperazin-1-ylpropan-1-one
CID 110833337
3-[4-(2-phenylethyl)piperazin-1-yl]-1-piperazin-1-ylpropan-1-one
CID 120982352
3-[4-(2,6-difluorobenzoyl)piperazin-1-yl]-1-piperazin-1-ylpropan-1-one
CID 120981277
3-(4-benzylpiperazin-1-yl)-1-piperazin-1-ylpropan-1-one;dihydrochloride
CID 120982250
6-methoxy-2-(3-oxo-3-piperazin-1-ylpropyl)pyridazin-3-one
CID 105061828

Frequently Asked Questions

What is the IUPAC name of 6-bromo-1-(3-oxo-3-piperazin-1-ylpropyl)pyridin-2-one?
The IUPAC name of 6-bromo-1-(3-oxo-3-piperazin-1-ylpropyl)pyridin-2-one (CID 94751445) is 6-bromo-1-(3-oxo-3-piperazin-1-ylpropyl)pyridin-2-one.
What is the SMILES notation for 6-bromo-1-(3-oxo-3-piperazin-1-ylpropyl)pyridin-2-one?
The canonical SMILES for 6-bromo-1-(3-oxo-3-piperazin-1-ylpropyl)pyridin-2-one is O=C(CCn1c(Br)cccc1=O)N1CCNCC1.
What is the InChIKey of 6-bromo-1-(3-oxo-3-piperazin-1-ylpropyl)pyridin-2-one?
The InChIKey is UUILBWCPXAMZFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BrN3O2/c13-10-2-1-3-12(18)16(10)7-4-11(17)15-8-5-14-6-9-15/h1-3,14H,4-9H2.
What are the key properties of 6-bromo-1-(3-oxo-3-piperazin-1-ylpropyl)pyridin-2-one?
6-bromo-1-(3-oxo-3-piperazin-1-ylpropyl)pyridin-2-one has a molecular weight of 314.18 g/mol, XLogP of 0.43, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-1-(3-oxo-3-piperazin-1-ylpropyl)pyridin-2-one is sourced from PubChem (CID 94751445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).