3-(2-chlorophenyl)-4-(2-cyclopent-2-en-1-ylacetyl)piperazin-2-one

C17H19ClN2O2 — CID 75503478

IUPAC3-(2-chlorophenyl)-4-(2-cyclopent-2-en-1-ylacetyl)piperazin-2-one
SMILESO=C1NCCN(C(=O)CC2C=CCC2)C1c1ccccc1Cl
InChIInChI=1S/C17H19ClN2O2/c18-14-8-4-3-7-13(14)16-17(22)19-9-10-20(16)15(21)11-12-5-1-2-6-12/h1,3-5,7-8,12,16H,2,6,9-11H2,(H,19,22)
InChIKeyZYCNHAUGVRQSLU-UHFFFAOYSA-N
MW318.80 g/mol
LogP2.70
Rot. Bonds3

About 3-(2-chlorophenyl)-4-(2-cyclopent-2-en-1-ylacetyl)piperazin-2-one

3-(2-chlorophenyl)-4-(2-cyclopent-2-en-1-ylacetyl)piperazin-2-one (PubChem CID 75503478) has the molecular formula C17H19ClN2O2 and a molecular weight of 318.80 g/mol. Its IUPAC name is 3-(2-chlorophenyl)-4-(2-cyclopent-2-en-1-ylacetyl)piperazin-2-one.

Molecular Properties

Compound Name3-(2-chlorophenyl)-4-(2-cyclopent-2-en-1-ylacetyl)piperazin-2-one
PubChem CID75503478
Molecular FormulaC17H19ClN2O2
Molecular Weight318.80 g/mol
Exact Mass318.11
IUPAC Name3-(2-chlorophenyl)-4-(2-cyclopent-2-en-1-ylacetyl)piperazin-2-one
SMILESO=C1NCCN(C(=O)CC2C=CCC2)C1c1ccccc1Cl
InChIInChI=1S/C17H19ClN2O2/c18-14-8-4-3-7-13(14)16-17(22)19-9-10-20(16)15(21)11-12-5-1-2-6-12/h1,3-5,7-8,12,16H,2,6,9-11H2,(H,19,22)
InChIKeyZYCNHAUGVRQSLU-UHFFFAOYSA-N
XLogP2.70
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.80
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

4-butanoyl-3-(2-chlorophenyl)piperazin-2-one
CID 110657325
3-(2-chlorophenyl)-4-(3-pyrazol-1-ylpropanoyl)piperazin-2-one
CID 86788537
3-(2-chlorophenyl)-4-(2-thiophen-2-ylacetyl)piperazin-2-one
CID 75477067
3-(2-chlorophenyl)-4-(furan-3-carbonyl)piperazin-2-one
CID 75520617
3-(2-chlorophenyl)-4-(pyridine-4-carbonyl)piperazin-2-one
CID 75503479
3-[2-(2-chlorophenyl)-3-oxopiperazin-1-yl]-2-methyl-3-oxopropanoic acid
CID 122066378
3-(2-chlorophenyl)-4-(thiophene-2-carbonyl)piperazin-2-one
CID 110657333
3-(2-chlorophenyl)-4-[3-(3-methylimidazol-4-yl)propanoyl]piperazin-2-one
CID 126797541
3-(2-chlorophenyl)-4-(4-propan-2-ylbenzoyl)piperazin-2-one
CID 110657344
4-[2-(4-chlorophenyl)acetyl]-3-(2-fluorophenyl)piperazin-2-one
CID 110657002
(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

Frequently Asked Questions

What is the IUPAC name of 3-(2-chlorophenyl)-4-(2-cyclopent-2-en-1-ylacetyl)piperazin-2-one?
The IUPAC name of 3-(2-chlorophenyl)-4-(2-cyclopent-2-en-1-ylacetyl)piperazin-2-one (CID 75503478) is 3-(2-chlorophenyl)-4-(2-cyclopent-2-en-1-ylacetyl)piperazin-2-one.
What is the SMILES notation for 3-(2-chlorophenyl)-4-(2-cyclopent-2-en-1-ylacetyl)piperazin-2-one?
The canonical SMILES for 3-(2-chlorophenyl)-4-(2-cyclopent-2-en-1-ylacetyl)piperazin-2-one is O=C1NCCN(C(=O)CC2C=CCC2)C1c1ccccc1Cl.
What is the InChIKey of 3-(2-chlorophenyl)-4-(2-cyclopent-2-en-1-ylacetyl)piperazin-2-one?
The InChIKey is ZYCNHAUGVRQSLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClN2O2/c18-14-8-4-3-7-13(14)16-17(22)19-9-10-20(16)15(21)11-12-5-1-2-6-12/h1,3-5,7-8,12,16H,2,6,9-11H2,(H,19,22).
What are the key properties of 3-(2-chlorophenyl)-4-(2-cyclopent-2-en-1-ylacetyl)piperazin-2-one?
3-(2-chlorophenyl)-4-(2-cyclopent-2-en-1-ylacetyl)piperazin-2-one has a molecular weight of 318.80 g/mol, XLogP of 2.70, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chlorophenyl)-4-(2-cyclopent-2-en-1-ylacetyl)piperazin-2-one is sourced from PubChem (CID 75503478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).