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

C12H16BrN3O2 — CID 39147647

IUPAC5-bromo-1-(3-oxo-3-piperazin-1-ylpropyl)pyridin-2-one
SMILESO=C(CCn1cc(Br)ccc1=O)N1CCNCC1
InChIInChI=1S/C12H16BrN3O2/c13-10-1-2-11(17)16(9-10)6-3-12(18)15-7-4-14-5-8-15/h1-2,9,14H,3-8H2
InChIKeyFCCNTMLGGVJKIO-UHFFFAOYSA-N
MW314.18 g/mol
LogP0.43
Rot. Bonds3

About 5-bromo-1-(3-oxo-3-piperazin-1-ylpropyl)pyridin-2-one

5-bromo-1-(3-oxo-3-piperazin-1-ylpropyl)pyridin-2-one (PubChem CID 39147647) has the molecular formula C12H16BrN3O2 and a molecular weight of 314.18 g/mol. Its IUPAC name is 5-bromo-1-(3-oxo-3-piperazin-1-ylpropyl)pyridin-2-one.

Molecular Properties

Compound Name5-bromo-1-(3-oxo-3-piperazin-1-ylpropyl)pyridin-2-one
PubChem CID39147647
Molecular FormulaC12H16BrN3O2
Molecular Weight314.18 g/mol
Exact Mass313.04
IUPAC Name5-bromo-1-(3-oxo-3-piperazin-1-ylpropyl)pyridin-2-one
SMILESO=C(CCn1cc(Br)ccc1=O)N1CCNCC1
InChIInChI=1S/C12H16BrN3O2/c13-10-1-2-11(17)16(9-10)6-3-12(18)15-7-4-14-5-8-15/h1-2,9,14H,3-8H2
InChIKeyFCCNTMLGGVJKIO-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

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Related Compounds

5-fluoro-1-(3-oxo-3-piperazin-1-ylpropyl)pyridin-2-one
CID 82147365
5-bromo-1-[3-oxo-3-(4-prop-2-ynylpiperazin-1-yl)propyl]pyridin-2-one
CID 86862044
6-bromo-1-(3-oxo-3-piperazin-1-ylpropyl)pyridin-2-one
CID 94751445
4-(4-bromophenyl)sulfanyl-1-piperazin-1-ylbutan-1-one
CID 119401413
5-bromo-1-[3-(1,3-dimethyl-5,6-dihydropyrazolo[5,4-b][1,4]oxazin-4-yl)-3-oxopropyl]pyridin-2-one
CID 127749445
1-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]-5-bromopyridin-2-one
CID 37317226
6-methoxy-2-(3-oxo-3-piperazin-1-ylpropyl)pyridazin-3-one
CID 105061828
4-(3-oxo-3-piperazin-1-ylpropyl)morpholine-3,5-dione
CID 62542610
2-(4-bromophenyl)-1-(1,4-diazepan-1-yl)ethanone;hydrochloride
CID 119416494
1-[3-(3-methylpiperazin-1-yl)-3-oxopropyl]pyridin-2-one;hydrochloride
CID 119580605
4-(4-bromophenyl)sulfonyl-1-piperazin-1-ylbutan-1-one;hydrochloride
CID 119402390
3-[4-(2-phenylethyl)piperazin-1-yl]-1-piperazin-1-ylpropan-1-one
CID 120982352

Frequently Asked Questions

What is the IUPAC name of 5-bromo-1-(3-oxo-3-piperazin-1-ylpropyl)pyridin-2-one?
The IUPAC name of 5-bromo-1-(3-oxo-3-piperazin-1-ylpropyl)pyridin-2-one (CID 39147647) is 5-bromo-1-(3-oxo-3-piperazin-1-ylpropyl)pyridin-2-one.
What is the SMILES notation for 5-bromo-1-(3-oxo-3-piperazin-1-ylpropyl)pyridin-2-one?
The canonical SMILES for 5-bromo-1-(3-oxo-3-piperazin-1-ylpropyl)pyridin-2-one is O=C(CCn1cc(Br)ccc1=O)N1CCNCC1.
What is the InChIKey of 5-bromo-1-(3-oxo-3-piperazin-1-ylpropyl)pyridin-2-one?
The InChIKey is FCCNTMLGGVJKIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BrN3O2/c13-10-1-2-11(17)16(9-10)6-3-12(18)15-7-4-14-5-8-15/h1-2,9,14H,3-8H2.
What are the key properties of 5-bromo-1-(3-oxo-3-piperazin-1-ylpropyl)pyridin-2-one?
5-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 5-bromo-1-(3-oxo-3-piperazin-1-ylpropyl)pyridin-2-one is sourced from PubChem (CID 39147647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).