3-(2-chlorophenyl)-4-(pyridine-4-carbonyl)piperazin-2-one

C16H14ClN3O2 — CID 75503479

IUPAC3-(2-chlorophenyl)-4-(pyridine-4-carbonyl)piperazin-2-one
SMILESO=C1NCCN(C(=O)c2ccncc2)C1c1ccccc1Cl
InChIInChI=1S/C16H14ClN3O2/c17-13-4-2-1-3-12(13)14-15(21)19-9-10-20(14)16(22)11-5-7-18-8-6-11/h1-8,14H,9-10H2,(H,19,21)
InChIKeyCHZUDAHTAPDLPR-UHFFFAOYSA-N
MW315.76 g/mol
LogP2.05
Rot. Bonds2

About 3-(2-chlorophenyl)-4-(pyridine-4-carbonyl)piperazin-2-one

3-(2-chlorophenyl)-4-(pyridine-4-carbonyl)piperazin-2-one (PubChem CID 75503479) has the molecular formula C16H14ClN3O2 and a molecular weight of 315.76 g/mol. Its IUPAC name is 3-(2-chlorophenyl)-4-(pyridine-4-carbonyl)piperazin-2-one.

Molecular Properties

Compound Name3-(2-chlorophenyl)-4-(pyridine-4-carbonyl)piperazin-2-one
PubChem CID75503479
Molecular FormulaC16H14ClN3O2
Molecular Weight315.76 g/mol
Exact Mass315.08
IUPAC Name3-(2-chlorophenyl)-4-(pyridine-4-carbonyl)piperazin-2-one
SMILESO=C1NCCN(C(=O)c2ccncc2)C1c1ccccc1Cl
InChIInChI=1S/C16H14ClN3O2/c17-13-4-2-1-3-12(13)14-15(21)19-9-10-20(14)16(22)11-5-7-18-8-6-11/h1-8,14H,9-10H2,(H,19,21)
InChIKeyCHZUDAHTAPDLPR-UHFFFAOYSA-N
XLogP2.05
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.76
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2-chlorophenyl)-4-(4-propan-2-ylbenzoyl)piperazin-2-one
CID 110657344
3-(2-chlorophenyl)-4-(furan-3-carbonyl)piperazin-2-one
CID 75520617
3-(2-chlorophenyl)-4-(4-piperidin-1-ylsulfonylbenzoyl)piperazin-2-one
CID 110657373
3-(2-chlorophenyl)-4-(thiophene-2-carbonyl)piperazin-2-one
CID 110657333
(3R)-3-(2-chlorophenyl)-4-(2-methylpyrazole-3-carbonyl)piperazin-2-one
CID 99628590
3-(2-chlorophenyl)-4-(1,3-thiazole-4-carbonyl)piperazin-2-one
CID 75503471
(3S)-4-(5-chloro-2,3-dihydro-1,4-benzodioxine-7-carbonyl)-3-(2-chlorophenyl)piperazin-2-one
CID 97351154
3-[2-(2-chlorophenyl)-3-oxopiperazin-1-yl]-2-methyl-3-oxopropanoic acid
CID 122066378
4-butanoyl-3-(2-chlorophenyl)piperazin-2-one
CID 110657325
3-(2-chlorophenyl)-4-(2-thiophen-2-ylacetyl)piperazin-2-one
CID 75477067
3-(2-chlorophenyl)-4-(3-pyrazol-1-ylpropanoyl)piperazin-2-one
CID 86788537
3-(2-chlorophenyl)-4-[2-(oxan-4-yl)-1,3-oxazole-4-carbonyl]piperazin-2-one
CID 102561958

Frequently Asked Questions

What is the IUPAC name of 3-(2-chlorophenyl)-4-(pyridine-4-carbonyl)piperazin-2-one?
The IUPAC name of 3-(2-chlorophenyl)-4-(pyridine-4-carbonyl)piperazin-2-one (CID 75503479) is 3-(2-chlorophenyl)-4-(pyridine-4-carbonyl)piperazin-2-one.
What is the SMILES notation for 3-(2-chlorophenyl)-4-(pyridine-4-carbonyl)piperazin-2-one?
The canonical SMILES for 3-(2-chlorophenyl)-4-(pyridine-4-carbonyl)piperazin-2-one is O=C1NCCN(C(=O)c2ccncc2)C1c1ccccc1Cl.
What is the InChIKey of 3-(2-chlorophenyl)-4-(pyridine-4-carbonyl)piperazin-2-one?
The InChIKey is CHZUDAHTAPDLPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClN3O2/c17-13-4-2-1-3-12(13)14-15(21)19-9-10-20(14)16(22)11-5-7-18-8-6-11/h1-8,14H,9-10H2,(H,19,21).
What are the key properties of 3-(2-chlorophenyl)-4-(pyridine-4-carbonyl)piperazin-2-one?
3-(2-chlorophenyl)-4-(pyridine-4-carbonyl)piperazin-2-one has a molecular weight of 315.76 g/mol, XLogP of 2.05, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chlorophenyl)-4-(pyridine-4-carbonyl)piperazin-2-one is sourced from PubChem (CID 75503479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).