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

C15H13ClN2O3 — CID 75520617

IUPAC3-(2-chlorophenyl)-4-(furan-3-carbonyl)piperazin-2-one
SMILESO=C1NCCN(C(=O)c2ccoc2)C1c1ccccc1Cl
InChIInChI=1S/C15H13ClN2O3/c16-12-4-2-1-3-11(12)13-14(19)17-6-7-18(13)15(20)10-5-8-21-9-10/h1-5,8-9,13H,6-7H2,(H,17,19)
InChIKeyJRXUMFHZYDQNTJ-UHFFFAOYSA-N
MW304.73 g/mol
LogP2.25
Rot. Bonds2

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

3-(2-chlorophenyl)-4-(furan-3-carbonyl)piperazin-2-one (PubChem CID 75520617) has the molecular formula C15H13ClN2O3 and a molecular weight of 304.73 g/mol. Its IUPAC name is 3-(2-chlorophenyl)-4-(furan-3-carbonyl)piperazin-2-one.

Molecular Properties

Compound Name3-(2-chlorophenyl)-4-(furan-3-carbonyl)piperazin-2-one
PubChem CID75520617
Molecular FormulaC15H13ClN2O3
Molecular Weight304.73 g/mol
Exact Mass304.06
IUPAC Name3-(2-chlorophenyl)-4-(furan-3-carbonyl)piperazin-2-one
SMILESO=C1NCCN(C(=O)c2ccoc2)C1c1ccccc1Cl
InChIInChI=1S/C15H13ClN2O3/c16-12-4-2-1-3-11(12)13-14(19)17-6-7-18(13)15(20)10-5-8-21-9-10/h1-5,8-9,13H,6-7H2,(H,17,19)
InChIKeyJRXUMFHZYDQNTJ-UHFFFAOYSA-N
XLogP2.25
TPSA62.55 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.73
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2-chlorophenyl)-4-(pyridine-4-carbonyl)piperazin-2-one
CID 75503479
3-(2-chlorophenyl)-4-(4-propan-2-ylbenzoyl)piperazin-2-one
CID 110657344
(3S)-4-(5-chloro-2,3-dihydro-1,4-benzodioxine-7-carbonyl)-3-(2-chlorophenyl)piperazin-2-one
CID 97351154
(3R)-3-(2-chlorophenyl)-4-(2-methylpyrazole-3-carbonyl)piperazin-2-one
CID 99628590
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
3-[2-(2-chlorophenyl)-3-oxopiperazin-1-yl]-2-methyl-3-oxopropanoic acid
CID 122066378
3-(2-chlorophenyl)-4-(1,3-thiazole-4-carbonyl)piperazin-2-one
CID 75503471
4-butanoyl-3-(2-chlorophenyl)piperazin-2-one
CID 110657325
3-(2-chlorophenyl)-4-[2-(oxan-4-yl)-1,3-oxazole-4-carbonyl]piperazin-2-one
CID 102561958
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

Frequently Asked Questions

What is the IUPAC name of 3-(2-chlorophenyl)-4-(furan-3-carbonyl)piperazin-2-one?
The IUPAC name of 3-(2-chlorophenyl)-4-(furan-3-carbonyl)piperazin-2-one (CID 75520617) is 3-(2-chlorophenyl)-4-(furan-3-carbonyl)piperazin-2-one.
What is the SMILES notation for 3-(2-chlorophenyl)-4-(furan-3-carbonyl)piperazin-2-one?
The canonical SMILES for 3-(2-chlorophenyl)-4-(furan-3-carbonyl)piperazin-2-one is O=C1NCCN(C(=O)c2ccoc2)C1c1ccccc1Cl.
What is the InChIKey of 3-(2-chlorophenyl)-4-(furan-3-carbonyl)piperazin-2-one?
The InChIKey is JRXUMFHZYDQNTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClN2O3/c16-12-4-2-1-3-11(12)13-14(19)17-6-7-18(13)15(20)10-5-8-21-9-10/h1-5,8-9,13H,6-7H2,(H,17,19).
What are the key properties of 3-(2-chlorophenyl)-4-(furan-3-carbonyl)piperazin-2-one?
3-(2-chlorophenyl)-4-(furan-3-carbonyl)piperazin-2-one has a molecular weight of 304.73 g/mol, XLogP of 2.25, 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-(furan-3-carbonyl)piperazin-2-one is sourced from PubChem (CID 75520617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).