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

C12H16FN3O2 — CID 82147365

IUPAC5-fluoro-1-(3-oxo-3-piperazin-1-ylpropyl)pyridin-2-one
SMILESO=C(CCn1cc(F)ccc1=O)N1CCNCC1
InChIInChI=1S/C12H16FN3O2/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
InChIKeyQWYGHFLKJCCDAY-UHFFFAOYSA-N
MW253.28 g/mol
LogP-0.19
Rot. Bonds3

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

5-fluoro-1-(3-oxo-3-piperazin-1-ylpropyl)pyridin-2-one (PubChem CID 82147365) has the molecular formula C12H16FN3O2 and a molecular weight of 253.28 g/mol. Its IUPAC name is 5-fluoro-1-(3-oxo-3-piperazin-1-ylpropyl)pyridin-2-one.

Molecular Properties

Compound Name5-fluoro-1-(3-oxo-3-piperazin-1-ylpropyl)pyridin-2-one
PubChem CID82147365
Molecular FormulaC12H16FN3O2
Molecular Weight253.28 g/mol
Exact Mass253.12
IUPAC Name5-fluoro-1-(3-oxo-3-piperazin-1-ylpropyl)pyridin-2-one
SMILESO=C(CCn1cc(F)ccc1=O)N1CCNCC1
InChIInChI=1S/C12H16FN3O2/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
InChIKeyQWYGHFLKJCCDAY-UHFFFAOYSA-N
XLogP-0.19
TPSA54.34 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.28
LogP ≤ 5-0.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-bromo-1-(3-oxo-3-piperazin-1-ylpropyl)pyridin-2-one
CID 39147647
3-[4-(4-fluorobenzoyl)piperazin-1-yl]-1-piperazin-1-ylpropan-1-one;hydrochloride
CID 120980718
3-[(4-fluorophenyl)methyl-methylamino]-1-piperazin-1-ylpropan-1-one;hydrochloride
CID 120980411
3-(4-fluorophenoxy)-1-piperazin-1-ylpropan-1-one
CID 39256403
3-[4-[(2-chloro-4-fluorophenyl)methyl]piperazin-1-yl]-1-piperazin-1-ylpropan-1-one
CID 120982448
3-[2-(4-fluorophenyl)morpholin-4-yl]-1-piperazin-1-ylpropan-1-one
CID 120980907
2-(6-fluoro-1-methylindol-3-yl)-1-piperazin-1-ylethanone
CID 95432808
3-[4-(2,6-difluorobenzoyl)piperazin-1-yl]-1-piperazin-1-ylpropan-1-one
CID 120981277
3-[ethyl-[1-(4-fluorophenyl)ethyl]amino]-1-piperazin-1-ylpropan-1-one
CID 120981095
1-(1,4-diazepan-1-yl)-4-(4-fluorophenyl)butan-1-one
CID 82091540
6-bromo-1-(3-oxo-3-piperazin-1-ylpropyl)pyridin-2-one
CID 94751445
1-(4-fluorophenyl)-3-(2-oxo-2-piperazin-1-ylethyl)urea
CID 61177229

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-1-(3-oxo-3-piperazin-1-ylpropyl)pyridin-2-one?
The IUPAC name of 5-fluoro-1-(3-oxo-3-piperazin-1-ylpropyl)pyridin-2-one (CID 82147365) is 5-fluoro-1-(3-oxo-3-piperazin-1-ylpropyl)pyridin-2-one.
What is the SMILES notation for 5-fluoro-1-(3-oxo-3-piperazin-1-ylpropyl)pyridin-2-one?
The canonical SMILES for 5-fluoro-1-(3-oxo-3-piperazin-1-ylpropyl)pyridin-2-one is O=C(CCn1cc(F)ccc1=O)N1CCNCC1.
What is the InChIKey of 5-fluoro-1-(3-oxo-3-piperazin-1-ylpropyl)pyridin-2-one?
The InChIKey is QWYGHFLKJCCDAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16FN3O2/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-fluoro-1-(3-oxo-3-piperazin-1-ylpropyl)pyridin-2-one?
5-fluoro-1-(3-oxo-3-piperazin-1-ylpropyl)pyridin-2-one has a molecular weight of 253.28 g/mol, XLogP of -0.19, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-1-(3-oxo-3-piperazin-1-ylpropyl)pyridin-2-one is sourced from PubChem (CID 82147365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).