4-butanoyl-3-(2-chlorophenyl)piperazin-2-one

C14H17ClN2O2 — CID 110657325

IUPAC4-butanoyl-3-(2-chlorophenyl)piperazin-2-one
SMILESCCCC(=O)N1CCNC(=O)C1c1ccccc1Cl
InChIInChI=1S/C14H17ClN2O2/c1-2-5-12(18)17-9-8-16-14(19)13(17)10-6-3-4-7-11(10)15/h3-4,6-7,13H,2,5,8-9H2,1H3,(H,16,19)
InChIKeyPBKPJYRDOCPNAT-UHFFFAOYSA-N
MW280.75 g/mol
LogP2.14
Rot. Bonds3

About 4-butanoyl-3-(2-chlorophenyl)piperazin-2-one

4-butanoyl-3-(2-chlorophenyl)piperazin-2-one (PubChem CID 110657325) has the molecular formula C14H17ClN2O2 and a molecular weight of 280.75 g/mol. Its IUPAC name is 4-butanoyl-3-(2-chlorophenyl)piperazin-2-one.

Molecular Properties

Compound Name4-butanoyl-3-(2-chlorophenyl)piperazin-2-one
PubChem CID110657325
Molecular FormulaC14H17ClN2O2
Molecular Weight280.75 g/mol
Exact Mass280.10
IUPAC Name4-butanoyl-3-(2-chlorophenyl)piperazin-2-one
SMILESCCCC(=O)N1CCNC(=O)C1c1ccccc1Cl
InChIInChI=1S/C14H17ClN2O2/c1-2-5-12(18)17-9-8-16-14(19)13(17)10-6-3-4-7-11(10)15/h3-4,6-7,13H,2,5,8-9H2,1H3,(H,16,19)
InChIKeyPBKPJYRDOCPNAT-UHFFFAOYSA-N
XLogP2.14
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.75
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(2-chlorophenyl)-4-(3-pyrazol-1-ylpropanoyl)piperazin-2-one
CID 86788537
3-(2-chlorophenyl)-4-[3-(3-methylimidazol-4-yl)propanoyl]piperazin-2-one
CID 126797541
3-(2-chlorophenyl)-4-(2-thiophen-2-ylacetyl)piperazin-2-one
CID 75477067
3-(2-chlorophenyl)-4-(2-cyclopent-2-en-1-ylacetyl)piperazin-2-one
CID 75503478
3-[2-(2-chlorophenyl)-3-oxopiperazin-1-yl]-2-methyl-3-oxopropanoic acid
CID 122066378
3-(2-methylphenyl)-4-propanoylpiperazin-2-one
CID 110657143
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
(3R)-3-(2-chlorophenyl)-4-(2-methylpyrazole-3-carbonyl)piperazin-2-one
CID 99628590
3-(2-chlorophenyl)-4-(furan-3-carbonyl)piperazin-2-one
CID 75520617
3-(2-chlorophenyl)-4-(thiophene-2-carbonyl)piperazin-2-one
CID 110657333
3-(2-chlorophenyl)-4-propylsulfonylpiperazin-2-one
CID 110657423

Frequently Asked Questions

What is the IUPAC name of 4-butanoyl-3-(2-chlorophenyl)piperazin-2-one?
The IUPAC name of 4-butanoyl-3-(2-chlorophenyl)piperazin-2-one (CID 110657325) is 4-butanoyl-3-(2-chlorophenyl)piperazin-2-one.
What is the SMILES notation for 4-butanoyl-3-(2-chlorophenyl)piperazin-2-one?
The canonical SMILES for 4-butanoyl-3-(2-chlorophenyl)piperazin-2-one is CCCC(=O)N1CCNC(=O)C1c1ccccc1Cl.
What is the InChIKey of 4-butanoyl-3-(2-chlorophenyl)piperazin-2-one?
The InChIKey is PBKPJYRDOCPNAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClN2O2/c1-2-5-12(18)17-9-8-16-14(19)13(17)10-6-3-4-7-11(10)15/h3-4,6-7,13H,2,5,8-9H2,1H3,(H,16,19).
What are the key properties of 4-butanoyl-3-(2-chlorophenyl)piperazin-2-one?
4-butanoyl-3-(2-chlorophenyl)piperazin-2-one has a molecular weight of 280.75 g/mol, XLogP of 2.14, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butanoyl-3-(2-chlorophenyl)piperazin-2-one is sourced from PubChem (CID 110657325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).