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

C19H25N3O3S — CID 126782301

IUPAC3-(1,1-dioxo-1,2-thiazolidin-2-yl)-1-[2-(1H-indol-2-yl)piperidin-1-yl]propan-1-one
SMILESO=C(CCN1CCCS1(=O)=O)N1CCCCC1c1cc2ccccc2[nH]1
InChIInChI=1S/C19H25N3O3S/c23-19(9-12-21-10-5-13-26(21,24)25)22-11-4-3-8-18(22)17-14-15-6-1-2-7-16(15)20-17/h1-2,6-7,14,18,20H,3-5,8-13H2
InChIKeyKIRWLGJUPKIKMI-UHFFFAOYSA-N
MW375.49 g/mol
LogP2.65
Rot. Bonds4

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

3-(1,1-dioxo-1,2-thiazolidin-2-yl)-1-[2-(1H-indol-2-yl)piperidin-1-yl]propan-1-one (PubChem CID 126782301) has the molecular formula C19H25N3O3S and a molecular weight of 375.49 g/mol. Its IUPAC name is 3-(1,1-dioxo-1,2-thiazolidin-2-yl)-1-[2-(1H-indol-2-yl)piperidin-1-yl]propan-1-one.

Molecular Properties

Compound Name3-(1,1-dioxo-1,2-thiazolidin-2-yl)-1-[2-(1H-indol-2-yl)piperidin-1-yl]propan-1-one
PubChem CID126782301
Molecular FormulaC19H25N3O3S
Molecular Weight375.49 g/mol
Exact Mass375.16
IUPAC Name3-(1,1-dioxo-1,2-thiazolidin-2-yl)-1-[2-(1H-indol-2-yl)piperidin-1-yl]propan-1-one
SMILESO=C(CCN1CCCS1(=O)=O)N1CCCCC1c1cc2ccccc2[nH]1
InChIInChI=1S/C19H25N3O3S/c23-19(9-12-21-10-5-13-26(21,24)25)22-11-4-3-8-18(22)17-14-15-6-1-2-7-16(15)20-17/h1-2,6-7,14,18,20H,3-5,8-13H2
InChIKeyKIRWLGJUPKIKMI-UHFFFAOYSA-N
XLogP2.65
TPSA73.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.49
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[2-(1H-indol-2-yl)piperidin-1-yl]-2-(2-methylphenyl)ethanone
CID 113089000
2-[(1,1-dioxothiolan-3-yl)-methylamino]-1-[2-(1H-indol-2-yl)piperidin-1-yl]ethanone
CID 127477504
2-(4-chlorophenoxy)-1-[2-(1H-indol-2-yl)piperidin-1-yl]ethanone
CID 113088985
1-[2-(1H-indol-2-yl)piperidin-1-yl]-2-(4-methylphenoxy)ethanone
CID 113088993
1-[2-(2,3-dimethylphenyl)piperidin-1-yl]-3-(1,1-dioxo-1,2-thiazolidin-2-yl)propan-1-one
CID 126781585
3-[(2R)-2-(1H-indol-2-yl)piperidin-1-yl]propanoic acid
CID 124704455
[2-(1H-indol-2-yl)piperidin-1-yl]-(oxan-4-yl)methanone
CID 113089008
[2-(1H-indol-2-yl)piperidin-1-yl]-pyrrolidin-3-ylmethanone
CID 119776657
1-[(2R)-2-(1H-indol-2-yl)piperidin-1-yl]-2-(6-methyl-3-pyridinyl)ethanone
CID 95616938
N-(4-hydroxycyclohexyl)-2-(1H-indol-2-yl)piperidine-1-carboxamide
CID 111109545
(3-aminocyclopentyl)-[2-(1H-indol-2-yl)piperidin-1-yl]methanone;hydrochloride
CID 119776626
2-(1,1-dioxo-1,2-thiazolidin-2-yl)-1-[(2S)-2-phenylazepan-1-yl]ethanone
CID 99840592

Frequently Asked Questions

What is the IUPAC name of 3-(1,1-dioxo-1,2-thiazolidin-2-yl)-1-[2-(1H-indol-2-yl)piperidin-1-yl]propan-1-one?
The IUPAC name of 3-(1,1-dioxo-1,2-thiazolidin-2-yl)-1-[2-(1H-indol-2-yl)piperidin-1-yl]propan-1-one (CID 126782301) is 3-(1,1-dioxo-1,2-thiazolidin-2-yl)-1-[2-(1H-indol-2-yl)piperidin-1-yl]propan-1-one.
What is the SMILES notation for 3-(1,1-dioxo-1,2-thiazolidin-2-yl)-1-[2-(1H-indol-2-yl)piperidin-1-yl]propan-1-one?
The canonical SMILES for 3-(1,1-dioxo-1,2-thiazolidin-2-yl)-1-[2-(1H-indol-2-yl)piperidin-1-yl]propan-1-one is O=C(CCN1CCCS1(=O)=O)N1CCCCC1c1cc2ccccc2[nH]1.
What is the InChIKey of 3-(1,1-dioxo-1,2-thiazolidin-2-yl)-1-[2-(1H-indol-2-yl)piperidin-1-yl]propan-1-one?
The InChIKey is KIRWLGJUPKIKMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O3S/c23-19(9-12-21-10-5-13-26(21,24)25)22-11-4-3-8-18(22)17-14-15-6-1-2-7-16(15)20-17/h1-2,6-7,14,18,20H,3-5,8-13H2.
What are the key properties of 3-(1,1-dioxo-1,2-thiazolidin-2-yl)-1-[2-(1H-indol-2-yl)piperidin-1-yl]propan-1-one?
3-(1,1-dioxo-1,2-thiazolidin-2-yl)-1-[2-(1H-indol-2-yl)piperidin-1-yl]propan-1-one has a molecular weight of 375.49 g/mol, XLogP of 2.65, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,1-dioxo-1,2-thiazolidin-2-yl)-1-[2-(1H-indol-2-yl)piperidin-1-yl]propan-1-one is sourced from PubChem (CID 126782301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).