3-(4-fluorophenyl)-4-(5-thiophen-2-ylpentanoyl)piperazin-2-one

C19H21FN2O2S — CID 110619051

IUPAC3-(4-fluorophenyl)-4-(5-thiophen-2-ylpentanoyl)piperazin-2-one
SMILESO=C1NCCN(C(=O)CCCCc2cccs2)C1c1ccc(F)cc1
InChIInChI=1S/C19H21FN2O2S/c20-15-9-7-14(8-10-15)18-19(24)21-11-12-22(18)17(23)6-2-1-4-16-5-3-13-25-16/h3,5,7-10,13,18H,1-2,4,6,11-12H2,(H,21,24)
InChIKeyLVQDHUGVVUUFBT-UHFFFAOYSA-N
MW360.45 g/mol
LogP3.30
Rot. Bonds6

About 3-(4-fluorophenyl)-4-(5-thiophen-2-ylpentanoyl)piperazin-2-one

3-(4-fluorophenyl)-4-(5-thiophen-2-ylpentanoyl)piperazin-2-one (PubChem CID 110619051) has the molecular formula C19H21FN2O2S and a molecular weight of 360.45 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-4-(5-thiophen-2-ylpentanoyl)piperazin-2-one.

Molecular Properties

Compound Name3-(4-fluorophenyl)-4-(5-thiophen-2-ylpentanoyl)piperazin-2-one
PubChem CID110619051
Molecular FormulaC19H21FN2O2S
Molecular Weight360.45 g/mol
Exact Mass360.13
IUPAC Name3-(4-fluorophenyl)-4-(5-thiophen-2-ylpentanoyl)piperazin-2-one
SMILESO=C1NCCN(C(=O)CCCCc2cccs2)C1c1ccc(F)cc1
InChIInChI=1S/C19H21FN2O2S/c20-15-9-7-14(8-10-15)18-19(24)21-11-12-22(18)17(23)6-2-1-4-16-5-3-13-25-16/h3,5,7-10,13,18H,1-2,4,6,11-12H2,(H,21,24)
InChIKeyLVQDHUGVVUUFBT-UHFFFAOYSA-N
XLogP3.30
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.45
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-phenyl-4-(2-thiophen-2-ylacetyl)piperazin-2-one
CID 110644588
methyl 4-[2-(4-fluorophenyl)-3-oxopiperazin-1-yl]-4-oxobutanoate
CID 110669941
1-(4-fluorophenyl)-4-[2-(4-fluorophenyl)-3-oxopiperazin-1-yl]butane-1,4-dione
CID 110426009
3-(4-propan-2-ylphenyl)-4-(2-thiophen-2-ylacetyl)piperazin-2-one
CID 110420284
1-[2-(4-fluorophenyl)-3-oxopiperazin-1-yl]-5-(4-methoxyphenyl)pentane-1,5-dione
CID 110426013
4-[3-(3-fluorophenyl)propanoyl]-3-phenylpiperazin-2-one
CID 110728490
1-[3-[2-(4-fluorophenyl)-3-oxopiperazin-1-yl]-3-oxopropyl]azepan-2-one
CID 131932980
4-[4-(methylamino)butanoyl]-3-thiophen-2-ylpiperazin-2-one;hydrochloride
CID 119801478
4-[2-(4-fluorophenyl)acetyl]-3-(4-methylphenyl)piperazin-2-one
CID 110420024
4-[2-(4-fluorophenyl)acetyl]-3-(4-methoxyphenyl)piperazin-2-one
CID 110420396
1-[3-(4-fluorophenyl)morpholin-4-yl]-3-thiophen-2-ylpropan-1-one
CID 110663863
1-(2-pyridin-3-ylpiperazin-1-yl)-4-thiophen-2-ylbutan-1-one
CID 120730142

Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-4-(5-thiophen-2-ylpentanoyl)piperazin-2-one?
The IUPAC name of 3-(4-fluorophenyl)-4-(5-thiophen-2-ylpentanoyl)piperazin-2-one (CID 110619051) is 3-(4-fluorophenyl)-4-(5-thiophen-2-ylpentanoyl)piperazin-2-one.
What is the SMILES notation for 3-(4-fluorophenyl)-4-(5-thiophen-2-ylpentanoyl)piperazin-2-one?
The canonical SMILES for 3-(4-fluorophenyl)-4-(5-thiophen-2-ylpentanoyl)piperazin-2-one is O=C1NCCN(C(=O)CCCCc2cccs2)C1c1ccc(F)cc1.
What is the InChIKey of 3-(4-fluorophenyl)-4-(5-thiophen-2-ylpentanoyl)piperazin-2-one?
The InChIKey is LVQDHUGVVUUFBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21FN2O2S/c20-15-9-7-14(8-10-15)18-19(24)21-11-12-22(18)17(23)6-2-1-4-16-5-3-13-25-16/h3,5,7-10,13,18H,1-2,4,6,11-12H2,(H,21,24).
What are the key properties of 3-(4-fluorophenyl)-4-(5-thiophen-2-ylpentanoyl)piperazin-2-one?
3-(4-fluorophenyl)-4-(5-thiophen-2-ylpentanoyl)piperazin-2-one has a molecular weight of 360.45 g/mol, XLogP of 3.30, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-4-(5-thiophen-2-ylpentanoyl)piperazin-2-one is sourced from PubChem (CID 110619051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).