3-(4-propan-2-ylphenyl)-4-(2-thiophen-2-ylacetyl)piperazin-2-one

C19H22N2O2S — CID 110420284

IUPAC3-(4-propan-2-ylphenyl)-4-(2-thiophen-2-ylacetyl)piperazin-2-one
SMILESCC(C)c1ccc(C2C(=O)NCCN2C(=O)Cc2cccs2)cc1
InChIInChI=1S/C19H22N2O2S/c1-13(2)14-5-7-15(8-6-14)18-19(23)20-9-10-21(18)17(22)12-16-4-3-11-24-16/h3-8,11,13,18H,9-10,12H2,1-2H3,(H,20,23)
InChIKeyRSVMEMWAHZZGCM-UHFFFAOYSA-N
MW342.46 g/mol
LogP3.11
Rot. Bonds4

About 3-(4-propan-2-ylphenyl)-4-(2-thiophen-2-ylacetyl)piperazin-2-one

3-(4-propan-2-ylphenyl)-4-(2-thiophen-2-ylacetyl)piperazin-2-one (PubChem CID 110420284) has the molecular formula C19H22N2O2S and a molecular weight of 342.46 g/mol. Its IUPAC name is 3-(4-propan-2-ylphenyl)-4-(2-thiophen-2-ylacetyl)piperazin-2-one.

Molecular Properties

Compound Name3-(4-propan-2-ylphenyl)-4-(2-thiophen-2-ylacetyl)piperazin-2-one
PubChem CID110420284
Molecular FormulaC19H22N2O2S
Molecular Weight342.46 g/mol
Exact Mass342.14
IUPAC Name3-(4-propan-2-ylphenyl)-4-(2-thiophen-2-ylacetyl)piperazin-2-one
SMILESCC(C)c1ccc(C2C(=O)NCCN2C(=O)Cc2cccs2)cc1
InChIInChI=1S/C19H22N2O2S/c1-13(2)14-5-7-15(8-6-14)18-19(23)20-9-10-21(18)17(22)12-16-4-3-11-24-16/h3-8,11,13,18H,9-10,12H2,1-2H3,(H,20,23)
InChIKeyRSVMEMWAHZZGCM-UHFFFAOYSA-N
XLogP3.11
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.46
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-phenyl-4-(2-thiophen-2-ylacetyl)piperazin-2-one
CID 110644588
3-(2-chlorophenyl)-4-(2-thiophen-2-ylacetyl)piperazin-2-one
CID 75477067
4-acetyl-3-(4-propan-2-ylphenyl)piperazin-2-one
CID 110644815
3-(4-fluorophenyl)-4-(5-thiophen-2-ylpentanoyl)piperazin-2-one
CID 110619051
3-(4-chlorophenyl)-4-(4-propan-2-ylbenzoyl)piperazin-2-one
CID 110420160
3-[3-oxo-2-(4-propan-2-ylphenyl)piperazine-1-carbonyl]benzonitrile
CID 110420275
4-[2-(4-fluorophenyl)acetyl]-3-(4-methylphenyl)piperazin-2-one
CID 110420024
4-[2-(methylamino)acetyl]-3-thiophen-2-ylpiperazin-2-one
CID 119801487
4-[2-(2-fluorophenyl)acetyl]-3-phenylpiperazin-2-one
CID 110728495
methyl 4-[2-(4-fluorophenyl)-3-oxopiperazin-1-yl]-4-oxobutanoate
CID 110669941
1-[2-(4-ethylphenyl)piperazin-1-yl]-2-thiophen-2-ylethanone;hydrochloride
CID 120741698
4-(3,3-dimethylbutanoyl)-3-(4-methylphenyl)piperazin-2-one
CID 110644711

Frequently Asked Questions

What is the IUPAC name of 3-(4-propan-2-ylphenyl)-4-(2-thiophen-2-ylacetyl)piperazin-2-one?
The IUPAC name of 3-(4-propan-2-ylphenyl)-4-(2-thiophen-2-ylacetyl)piperazin-2-one (CID 110420284) is 3-(4-propan-2-ylphenyl)-4-(2-thiophen-2-ylacetyl)piperazin-2-one.
What is the SMILES notation for 3-(4-propan-2-ylphenyl)-4-(2-thiophen-2-ylacetyl)piperazin-2-one?
The canonical SMILES for 3-(4-propan-2-ylphenyl)-4-(2-thiophen-2-ylacetyl)piperazin-2-one is CC(C)c1ccc(C2C(=O)NCCN2C(=O)Cc2cccs2)cc1.
What is the InChIKey of 3-(4-propan-2-ylphenyl)-4-(2-thiophen-2-ylacetyl)piperazin-2-one?
The InChIKey is RSVMEMWAHZZGCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O2S/c1-13(2)14-5-7-15(8-6-14)18-19(23)20-9-10-21(18)17(22)12-16-4-3-11-24-16/h3-8,11,13,18H,9-10,12H2,1-2H3,(H,20,23).
What are the key properties of 3-(4-propan-2-ylphenyl)-4-(2-thiophen-2-ylacetyl)piperazin-2-one?
3-(4-propan-2-ylphenyl)-4-(2-thiophen-2-ylacetyl)piperazin-2-one has a molecular weight of 342.46 g/mol, XLogP of 3.11, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-propan-2-ylphenyl)-4-(2-thiophen-2-ylacetyl)piperazin-2-one is sourced from PubChem (CID 110420284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).