1-(6-oxo-1H-pyridin-3-yl)piperazin-2-one

C9H11N3O2 — CID 123469344

IUPAC1-(6-oxo-1H-pyridin-3-yl)piperazin-2-one
SMILESO=C1CNCCN1c1ccc(=O)[nH]c1
InChIInChI=1S/C9H11N3O2/c13-8-2-1-7(5-11-8)12-4-3-10-6-9(12)14/h1-2,5,10H,3-4,6H2,(H,11,13)
InChIKeyIMMUJWJBBMCNRH-UHFFFAOYSA-N
MW193.21 g/mol
LogP-0.69
Rot. Bonds1

About 1-(6-oxo-1H-pyridin-3-yl)piperazin-2-one

1-(6-oxo-1H-pyridin-3-yl)piperazin-2-one (PubChem CID 123469344) has the molecular formula C9H11N3O2 and a molecular weight of 193.21 g/mol. Its IUPAC name is 1-(6-oxo-1H-pyridin-3-yl)piperazin-2-one.

Molecular Properties

Compound Name1-(6-oxo-1H-pyridin-3-yl)piperazin-2-one
PubChem CID123469344
Molecular FormulaC9H11N3O2
Molecular Weight193.21 g/mol
Exact Mass193.09
IUPAC Name1-(6-oxo-1H-pyridin-3-yl)piperazin-2-one
SMILESO=C1CNCCN1c1ccc(=O)[nH]c1
InChIInChI=1S/C9H11N3O2/c13-8-2-1-7(5-11-8)12-4-3-10-6-9(12)14/h1-2,5,10H,3-4,6H2,(H,11,13)
InChIKeyIMMUJWJBBMCNRH-UHFFFAOYSA-N
XLogP-0.69
TPSA65.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.21
LogP ≤ 5-0.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-Methyl-6-oxo-1,6-dihydropyridin-3-yl)acetamide
CID 61151185
N-(2-hydroxypyridin-3-yl)prop-2-enamide
CID 156600118
6-hydroxy-N-(propan-2-yl)pyridine-2-carboxamide
CID 15334838
5-Amino-1-(2-(dimethylamino)ethyl)-1,2-dihydropyridin-2-one
CID 20113138
2-(3-acetamido-2-oxo-1-pyridinyl)-N-propan-2-ylacetamide
CID 45268243
1-(2-Oxo-2-pyrrolidin-1-ylethyl)-3-(propylamino)pyridin-2-one
CID 45269129
2-[2-oxo-3-(propylamino)-1-pyridinyl]-N-propylacetamide
CID 45271636
2-(3-acetamido-2-oxo-1-pyridinyl)-N-propylacetamide
CID 45272533
1,6-dimethyl-3,4-dihydro-2H-pyrido[3,4-b]pyrazin-5-one
CID 171352189
N-(2-Hydroxypyridin-3-yl)acetamide
CID 322049
1-(2-(Piperazin-1-yl)ethyl)-1,2-dihydropyridin-2-one dihydrochloride
CID 12704872
2-(5-Amino-2-oxo-1,2-dihydropyridin-1-yl)acetamide
CID 18070410

Frequently Asked Questions

What is the IUPAC name of 1-(6-oxo-1H-pyridin-3-yl)piperazin-2-one?
The IUPAC name of 1-(6-oxo-1H-pyridin-3-yl)piperazin-2-one (CID 123469344) is 1-(6-oxo-1H-pyridin-3-yl)piperazin-2-one.
What is the SMILES notation for 1-(6-oxo-1H-pyridin-3-yl)piperazin-2-one?
The canonical SMILES for 1-(6-oxo-1H-pyridin-3-yl)piperazin-2-one is O=C1CNCCN1c1ccc(=O)[nH]c1.
What is the InChIKey of 1-(6-oxo-1H-pyridin-3-yl)piperazin-2-one?
The InChIKey is IMMUJWJBBMCNRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3O2/c13-8-2-1-7(5-11-8)12-4-3-10-6-9(12)14/h1-2,5,10H,3-4,6H2,(H,11,13).
What are the key properties of 1-(6-oxo-1H-pyridin-3-yl)piperazin-2-one?
1-(6-oxo-1H-pyridin-3-yl)piperazin-2-one has a molecular weight of 193.21 g/mol, XLogP of -0.69, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-oxo-1H-pyridin-3-yl)piperazin-2-one is sourced from PubChem (CID 123469344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).