1-(2,3-dimethylphenyl)-3-methyl-4-(thiophene-2-carbonyl)piperazin-2-one

C18H20N2O2S — CID 24718943

IUPAC1-(2,3-dimethylphenyl)-3-methyl-4-(thiophene-2-carbonyl)piperazin-2-one
SMILESCc1cccc(N2CCN(C(=O)c3cccs3)C(C)C2=O)c1C
InChIInChI=1S/C18H20N2O2S/c1-12-6-4-7-15(13(12)2)20-10-9-19(14(3)17(20)21)18(22)16-8-5-11-23-16/h4-8,11,14H,9-10H2,1-3H3
InChIKeyGFPKPGXLBFYTIY-UHFFFAOYSA-N
MW328.44 g/mol
LogP3.24
Rot. Bonds2

About 1-(2,3-dimethylphenyl)-3-methyl-4-(thiophene-2-carbonyl)piperazin-2-one

1-(2,3-dimethylphenyl)-3-methyl-4-(thiophene-2-carbonyl)piperazin-2-one (PubChem CID 24718943) has the molecular formula C18H20N2O2S and a molecular weight of 328.44 g/mol. Its IUPAC name is 1-(2,3-dimethylphenyl)-3-methyl-4-(thiophene-2-carbonyl)piperazin-2-one.

Molecular Properties

Compound Name1-(2,3-dimethylphenyl)-3-methyl-4-(thiophene-2-carbonyl)piperazin-2-one
PubChem CID24718943
Molecular FormulaC18H20N2O2S
Molecular Weight328.44 g/mol
Exact Mass328.12
IUPAC Name1-(2,3-dimethylphenyl)-3-methyl-4-(thiophene-2-carbonyl)piperazin-2-one
SMILESCc1cccc(N2CCN(C(=O)c3cccs3)C(C)C2=O)c1C
InChIInChI=1S/C18H20N2O2S/c1-12-6-4-7-15(13(12)2)20-10-9-19(14(3)17(20)21)18(22)16-8-5-11-23-16/h4-8,11,14H,9-10H2,1-3H3
InChIKeyGFPKPGXLBFYTIY-UHFFFAOYSA-N
XLogP3.24
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.44
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(3S)-1-(2,3-dimethylphenyl)-3-methyl-4-(thiophene-2-carbonyl)piperazin-2-one
CID 93292626
(3S)-1-(2,3-dimethylphenyl)-3-methyl-4-(2-methylbenzoyl)piperazin-2-one
CID 93323237
(3R)-1-(2-fluorophenyl)-3-methyl-4-(thiophene-2-carbonyl)piperazin-2-one
CID 93292395
(3S)-1-(2-fluoro-5-methylphenyl)-3-methyl-4-(thiophene-2-carbonyl)piperazin-2-one
CID 93292476
1-(2,4-dichlorophenyl)-3-methyl-4-(thiophene-2-carbonyl)piperazin-2-one
CID 46036548
1-(2,3-dimethylphenyl)-3-methyl-4-(3-methylbutanoyl)piperazin-2-one
CID 24716226
(2R)-N-tert-butyl-4-(2,3-dimethylphenyl)-2-methyl-3-oxopiperazine-1-carboxamide
CID 93114427
3-methyl-1-(4-propan-2-ylphenyl)-4-(thiophene-2-carbonyl)piperazin-2-one
CID 24718890
(3S)-3-methyl-1-(4-phenoxyphenyl)-4-(thiophene-2-carbonyl)piperazin-2-one
CID 93292450
(3S)-1-(2-methoxyphenyl)-3-methyl-4-(2-methylbenzoyl)piperazin-2-one
CID 93292651
(3R)-1-(4-ethoxyphenyl)-3-methyl-4-(thiophene-2-carbonyl)piperazin-2-one
CID 93292435
(3S)-3-methyl-4-(thiophene-2-carbonyl)piperazin-2-one
CID 25283897

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dimethylphenyl)-3-methyl-4-(thiophene-2-carbonyl)piperazin-2-one?
The IUPAC name of 1-(2,3-dimethylphenyl)-3-methyl-4-(thiophene-2-carbonyl)piperazin-2-one (CID 24718943) is 1-(2,3-dimethylphenyl)-3-methyl-4-(thiophene-2-carbonyl)piperazin-2-one.
What is the SMILES notation for 1-(2,3-dimethylphenyl)-3-methyl-4-(thiophene-2-carbonyl)piperazin-2-one?
The canonical SMILES for 1-(2,3-dimethylphenyl)-3-methyl-4-(thiophene-2-carbonyl)piperazin-2-one is Cc1cccc(N2CCN(C(=O)c3cccs3)C(C)C2=O)c1C.
What is the InChIKey of 1-(2,3-dimethylphenyl)-3-methyl-4-(thiophene-2-carbonyl)piperazin-2-one?
The InChIKey is GFPKPGXLBFYTIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O2S/c1-12-6-4-7-15(13(12)2)20-10-9-19(14(3)17(20)21)18(22)16-8-5-11-23-16/h4-8,11,14H,9-10H2,1-3H3.
What are the key properties of 1-(2,3-dimethylphenyl)-3-methyl-4-(thiophene-2-carbonyl)piperazin-2-one?
1-(2,3-dimethylphenyl)-3-methyl-4-(thiophene-2-carbonyl)piperazin-2-one has a molecular weight of 328.44 g/mol, XLogP of 3.24, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dimethylphenyl)-3-methyl-4-(thiophene-2-carbonyl)piperazin-2-one is sourced from PubChem (CID 24718943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).