1-[2-(2,3-dimethylphenyl)piperidin-1-yl]-3-(1,1-dioxo-1,2-thiazolidin-2-yl)propan-1-one

C19H28N2O3S — CID 126781585

IUPAC1-[2-(2,3-dimethylphenyl)piperidin-1-yl]-3-(1,1-dioxo-1,2-thiazolidin-2-yl)propan-1-one
SMILESCc1cccc(C2CCCCN2C(=O)CCN2CCCS2(=O)=O)c1C
InChIInChI=1S/C19H28N2O3S/c1-15-7-5-8-17(16(15)2)18-9-3-4-12-21(18)19(22)10-13-20-11-6-14-25(20,23)24/h5,7-8,18H,3-4,6,9-14H2,1-2H3
InChIKeyLLVSCTPUGYBOQA-UHFFFAOYSA-N
MW364.51 g/mol
LogP2.78
Rot. Bonds4

About 1-[2-(2,3-dimethylphenyl)piperidin-1-yl]-3-(1,1-dioxo-1,2-thiazolidin-2-yl)propan-1-one

1-[2-(2,3-dimethylphenyl)piperidin-1-yl]-3-(1,1-dioxo-1,2-thiazolidin-2-yl)propan-1-one (PubChem CID 126781585) has the molecular formula C19H28N2O3S and a molecular weight of 364.51 g/mol. Its IUPAC name is 1-[2-(2,3-dimethylphenyl)piperidin-1-yl]-3-(1,1-dioxo-1,2-thiazolidin-2-yl)propan-1-one.

Molecular Properties

Compound Name1-[2-(2,3-dimethylphenyl)piperidin-1-yl]-3-(1,1-dioxo-1,2-thiazolidin-2-yl)propan-1-one
PubChem CID126781585
Molecular FormulaC19H28N2O3S
Molecular Weight364.51 g/mol
Exact Mass364.18
IUPAC Name1-[2-(2,3-dimethylphenyl)piperidin-1-yl]-3-(1,1-dioxo-1,2-thiazolidin-2-yl)propan-1-one
SMILESCc1cccc(C2CCCCN2C(=O)CCN2CCCS2(=O)=O)c1C
InChIInChI=1S/C19H28N2O3S/c1-15-7-5-8-17(16(15)2)18-9-3-4-12-21(18)19(22)10-13-20-11-6-14-25(20,23)24/h5,7-8,18H,3-4,6,9-14H2,1-2H3
InChIKeyLLVSCTPUGYBOQA-UHFFFAOYSA-N
XLogP2.78
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.51
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-[2-(2,3-dimethylphenyl)piperidin-1-yl]-3-(1,1-dioxo-1,2-thiazolidin-2-yl)propan-1-one with MolForge

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Related Compounds

2-amino-1-[2-(2,3-dimethylphenyl)piperidin-1-yl]ethanone
CID 119336658
4-amino-1-[2-(2,3-dimethylphenyl)piperidin-1-yl]butan-1-one;hydrochloride
CID 119336667
1-[(2R)-2-(2,3-dimethylphenyl)piperidin-1-yl]-4-methylsulfonylbutan-1-one
CID 96568595
3-(1,1-dioxo-1,2-thiazolidin-2-yl)-1-[2-(1H-indol-2-yl)piperidin-1-yl]propan-1-one
CID 126782301
2-(4-aminophenyl)-1-[2-(2,3-dimethylphenyl)pyrrolidin-1-yl]ethanone;hydrochloride
CID 119800953
4-amino-1-[2-(2,3-dimethylphenyl)pyrrolidin-1-yl]-3-methoxybutan-1-one
CID 120593188
4-[(2S)-2-(2,3-dimethylphenyl)piperidin-1-yl]butanoic acid
CID 124607930
2-(1,1-dioxo-1,2-thiazolidin-2-yl)-1-[(2S)-2-phenylazepan-1-yl]ethanone
CID 99840592
4-[(2R)-2-(2,3-dimethylphenyl)piperidin-1-yl]butanoic acid
CID 124607931
1-[2-(2,3-dimethylphenyl)piperidin-1-yl]-2-thiomorpholin-3-ylethanone;hydrochloride
CID 119939972
(3-aminocyclohexyl)-[2-(2,3-dimethylphenyl)piperidin-1-yl]methanone;hydrochloride
CID 119806563
3-[2-(2,3-dimethylphenyl)pyrrolidin-1-yl]-1-piperazin-1-ylpropan-1-one
CID 120981915

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2,3-dimethylphenyl)piperidin-1-yl]-3-(1,1-dioxo-1,2-thiazolidin-2-yl)propan-1-one?
The IUPAC name of 1-[2-(2,3-dimethylphenyl)piperidin-1-yl]-3-(1,1-dioxo-1,2-thiazolidin-2-yl)propan-1-one (CID 126781585) is 1-[2-(2,3-dimethylphenyl)piperidin-1-yl]-3-(1,1-dioxo-1,2-thiazolidin-2-yl)propan-1-one.
What is the SMILES notation for 1-[2-(2,3-dimethylphenyl)piperidin-1-yl]-3-(1,1-dioxo-1,2-thiazolidin-2-yl)propan-1-one?
The canonical SMILES for 1-[2-(2,3-dimethylphenyl)piperidin-1-yl]-3-(1,1-dioxo-1,2-thiazolidin-2-yl)propan-1-one is Cc1cccc(C2CCCCN2C(=O)CCN2CCCS2(=O)=O)c1C.
What is the InChIKey of 1-[2-(2,3-dimethylphenyl)piperidin-1-yl]-3-(1,1-dioxo-1,2-thiazolidin-2-yl)propan-1-one?
The InChIKey is LLVSCTPUGYBOQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O3S/c1-15-7-5-8-17(16(15)2)18-9-3-4-12-21(18)19(22)10-13-20-11-6-14-25(20,23)24/h5,7-8,18H,3-4,6,9-14H2,1-2H3.
What are the key properties of 1-[2-(2,3-dimethylphenyl)piperidin-1-yl]-3-(1,1-dioxo-1,2-thiazolidin-2-yl)propan-1-one?
1-[2-(2,3-dimethylphenyl)piperidin-1-yl]-3-(1,1-dioxo-1,2-thiazolidin-2-yl)propan-1-one has a molecular weight of 364.51 g/mol, XLogP of 2.78, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2,3-dimethylphenyl)piperidin-1-yl]-3-(1,1-dioxo-1,2-thiazolidin-2-yl)propan-1-one is sourced from PubChem (CID 126781585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).