1-pyridin-3-yl-4-(2-pyridin-3-ylacetyl)piperazin-2-one

C16H16N4O2 — CID 126851696

IUPAC1-pyridin-3-yl-4-(2-pyridin-3-ylacetyl)piperazin-2-one
SMILESO=C(Cc1cccnc1)N1CCN(c2cccnc2)C(=O)C1
InChIInChI=1S/C16H16N4O2/c21-15(9-13-3-1-5-17-10-13)19-7-8-20(16(22)12-19)14-4-2-6-18-11-14/h1-6,10-11H,7-9,12H2
InChIKeyIRSZKVOXLHFFSD-UHFFFAOYSA-N
MW296.33 g/mol
LogP0.89
Rot. Bonds3

About 1-pyridin-3-yl-4-(2-pyridin-3-ylacetyl)piperazin-2-one

1-pyridin-3-yl-4-(2-pyridin-3-ylacetyl)piperazin-2-one (PubChem CID 126851696) has the molecular formula C16H16N4O2 and a molecular weight of 296.33 g/mol. Its IUPAC name is 1-pyridin-3-yl-4-(2-pyridin-3-ylacetyl)piperazin-2-one.

Molecular Properties

Compound Name1-pyridin-3-yl-4-(2-pyridin-3-ylacetyl)piperazin-2-one
PubChem CID126851696
Molecular FormulaC16H16N4O2
Molecular Weight296.33 g/mol
Exact Mass296.13
IUPAC Name1-pyridin-3-yl-4-(2-pyridin-3-ylacetyl)piperazin-2-one
SMILESO=C(Cc1cccnc1)N1CCN(c2cccnc2)C(=O)C1
InChIInChI=1S/C16H16N4O2/c21-15(9-13-3-1-5-17-10-13)19-7-8-20(16(22)12-19)14-4-2-6-18-11-14/h1-6,10-11H,7-9,12H2
InChIKeyIRSZKVOXLHFFSD-UHFFFAOYSA-N
XLogP0.89
TPSA66.40 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.33
LogP ≤ 50.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-[3-(2,6-dichlorophenyl)propanoyl]-1-pyridin-3-ylpiperazin-2-one
CID 131702383
4-(pyridine-2-carbonyl)-1-pyridin-3-ylpiperazin-2-one
CID 126855620
4-[2-(2,4-dichlorophenoxy)acetyl]-1-pyridin-3-ylpiperazin-2-one
CID 126855630
4-[2-(3-chlorophenyl)acetyl]-1-phenylpiperazin-2-one
CID 110708429
4-[2-(3-methoxyphenyl)acetyl]-1-phenylpiperazin-2-one
CID 110708431
4-(oxolane-2-carbonyl)-1-pyridin-3-ylpiperazin-2-one
CID 126855628
4-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-1-pyridin-3-ylpiperazin-2-one
CID 126851693
2-[2-oxo-4-(3-pyridin-3-ylpropanoyl)piperazin-1-yl]benzonitrile
CID 70721245
1-(4-methylphenyl)-4-(2-pyrazin-2-ylacetyl)piperazin-2-one
CID 70743066
4-(4-morpholin-4-ylsulfonylbenzoyl)-1-pyridin-3-ylpiperazin-2-one
CID 126855625
2-[4-(2-pyridin-3-ylacetyl)piperazin-1-yl]propanoic acid
CID 62691390
1-(1-methyl-6,7-dihydro-4H-pyrrolo[3,2-c]pyridin-5-yl)-2-pyridin-3-ylethanone
CID 112535716

Frequently Asked Questions

What is the IUPAC name of 1-pyridin-3-yl-4-(2-pyridin-3-ylacetyl)piperazin-2-one?
The IUPAC name of 1-pyridin-3-yl-4-(2-pyridin-3-ylacetyl)piperazin-2-one (CID 126851696) is 1-pyridin-3-yl-4-(2-pyridin-3-ylacetyl)piperazin-2-one.
What is the SMILES notation for 1-pyridin-3-yl-4-(2-pyridin-3-ylacetyl)piperazin-2-one?
The canonical SMILES for 1-pyridin-3-yl-4-(2-pyridin-3-ylacetyl)piperazin-2-one is O=C(Cc1cccnc1)N1CCN(c2cccnc2)C(=O)C1.
What is the InChIKey of 1-pyridin-3-yl-4-(2-pyridin-3-ylacetyl)piperazin-2-one?
The InChIKey is IRSZKVOXLHFFSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4O2/c21-15(9-13-3-1-5-17-10-13)19-7-8-20(16(22)12-19)14-4-2-6-18-11-14/h1-6,10-11H,7-9,12H2.
What are the key properties of 1-pyridin-3-yl-4-(2-pyridin-3-ylacetyl)piperazin-2-one?
1-pyridin-3-yl-4-(2-pyridin-3-ylacetyl)piperazin-2-one has a molecular weight of 296.33 g/mol, XLogP of 0.89, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-pyridin-3-yl-4-(2-pyridin-3-ylacetyl)piperazin-2-one is sourced from PubChem (CID 126851696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).