3-methyl-1-(4-propan-2-ylphenyl)-4-(thiophene-2-carbonyl)piperazin-2-one

C19H22N2O2S — CID 24718890

IUPAC3-methyl-1-(4-propan-2-ylphenyl)-4-(thiophene-2-carbonyl)piperazin-2-one
SMILESCC(C)c1ccc(N2CCN(C(=O)c3cccs3)C(C)C2=O)cc1
InChIInChI=1S/C19H22N2O2S/c1-13(2)15-6-8-16(9-7-15)21-11-10-20(14(3)18(21)22)19(23)17-5-4-12-24-17/h4-9,12-14H,10-11H2,1-3H3
InChIKeyRPFTVWLVIYLPIB-UHFFFAOYSA-N
MW342.46 g/mol
LogP3.75
Rot. Bonds3

About 3-methyl-1-(4-propan-2-ylphenyl)-4-(thiophene-2-carbonyl)piperazin-2-one

3-methyl-1-(4-propan-2-ylphenyl)-4-(thiophene-2-carbonyl)piperazin-2-one (PubChem CID 24718890) has the molecular formula C19H22N2O2S and a molecular weight of 342.46 g/mol. Its IUPAC name is 3-methyl-1-(4-propan-2-ylphenyl)-4-(thiophene-2-carbonyl)piperazin-2-one.

Molecular Properties

Compound Name3-methyl-1-(4-propan-2-ylphenyl)-4-(thiophene-2-carbonyl)piperazin-2-one
PubChem CID24718890
Molecular FormulaC19H22N2O2S
Molecular Weight342.46 g/mol
Exact Mass342.14
IUPAC Name3-methyl-1-(4-propan-2-ylphenyl)-4-(thiophene-2-carbonyl)piperazin-2-one
SMILESCC(C)c1ccc(N2CCN(C(=O)c3cccs3)C(C)C2=O)cc1
InChIInChI=1S/C19H22N2O2S/c1-13(2)15-6-8-16(9-7-15)21-11-10-20(14(3)18(21)22)19(23)17-5-4-12-24-17/h4-9,12-14H,10-11H2,1-3H3
InChIKeyRPFTVWLVIYLPIB-UHFFFAOYSA-N
XLogP3.75
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.46
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-(4-propan-2-ylphenyl)-4-(thiophene-2-carbonyl)piperazin-2-one?
The IUPAC name of 3-methyl-1-(4-propan-2-ylphenyl)-4-(thiophene-2-carbonyl)piperazin-2-one (CID 24718890) is 3-methyl-1-(4-propan-2-ylphenyl)-4-(thiophene-2-carbonyl)piperazin-2-one.
What is the SMILES notation for 3-methyl-1-(4-propan-2-ylphenyl)-4-(thiophene-2-carbonyl)piperazin-2-one?
The canonical SMILES for 3-methyl-1-(4-propan-2-ylphenyl)-4-(thiophene-2-carbonyl)piperazin-2-one is CC(C)c1ccc(N2CCN(C(=O)c3cccs3)C(C)C2=O)cc1.
What is the InChIKey of 3-methyl-1-(4-propan-2-ylphenyl)-4-(thiophene-2-carbonyl)piperazin-2-one?
The InChIKey is RPFTVWLVIYLPIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O2S/c1-13(2)15-6-8-16(9-7-15)21-11-10-20(14(3)18(21)22)19(23)17-5-4-12-24-17/h4-9,12-14H,10-11H2,1-3H3.
What are the key properties of 3-methyl-1-(4-propan-2-ylphenyl)-4-(thiophene-2-carbonyl)piperazin-2-one?
3-methyl-1-(4-propan-2-ylphenyl)-4-(thiophene-2-carbonyl)piperazin-2-one has a molecular weight of 342.46 g/mol, XLogP of 3.75, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-(4-propan-2-ylphenyl)-4-(thiophene-2-carbonyl)piperazin-2-one is sourced from PubChem (CID 24718890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).