3-[methyl-(1-methylpiperidin-4-yl)amino]-1-(2-phenylethyl)-4-thiophen-2-ylpyrrole-2,5-dione

C23H27N3O2S — CID 110552381

IUPAC3-[methyl-(1-methylpiperidin-4-yl)amino]-1-(2-phenylethyl)-4-thiophen-2-ylpyrrole-2,5-dione
SMILESCN1CCC(N(C)C2=C(c3cccs3)C(=O)N(CCc3ccccc3)C2=O)CC1
InChIInChI=1S/C23H27N3O2S/c1-24-13-11-18(12-14-24)25(2)21-20(19-9-6-16-29-19)22(27)26(23(21)28)15-10-17-7-4-3-5-8-17/h3-9,16,18H,10-15H2,1-2H3
InChIKeyXXTKCDXRIGBLLI-UHFFFAOYSA-N
MW409.56 g/mol
LogP3.10
Rot. Bonds6

About 3-[methyl-(1-methylpiperidin-4-yl)amino]-1-(2-phenylethyl)-4-thiophen-2-ylpyrrole-2,5-dione

3-[methyl-(1-methylpiperidin-4-yl)amino]-1-(2-phenylethyl)-4-thiophen-2-ylpyrrole-2,5-dione (PubChem CID 110552381) has the molecular formula C23H27N3O2S and a molecular weight of 409.56 g/mol. Its IUPAC name is 3-[methyl-(1-methylpiperidin-4-yl)amino]-1-(2-phenylethyl)-4-thiophen-2-ylpyrrole-2,5-dione.

Molecular Properties

Compound Name3-[methyl-(1-methylpiperidin-4-yl)amino]-1-(2-phenylethyl)-4-thiophen-2-ylpyrrole-2,5-dione
PubChem CID110552381
Molecular FormulaC23H27N3O2S
Molecular Weight409.56 g/mol
Exact Mass409.18
IUPAC Name3-[methyl-(1-methylpiperidin-4-yl)amino]-1-(2-phenylethyl)-4-thiophen-2-ylpyrrole-2,5-dione
SMILESCN1CCC(N(C)C2=C(c3cccs3)C(=O)N(CCc3ccccc3)C2=O)CC1
InChIInChI=1S/C23H27N3O2S/c1-24-13-11-18(12-14-24)25(2)21-20(19-9-6-16-29-19)22(27)26(23(21)28)15-10-17-7-4-3-5-8-17/h3-9,16,18H,10-15H2,1-2H3
InChIKeyXXTKCDXRIGBLLI-UHFFFAOYSA-N
XLogP3.10
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.56
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

Analyze 3-[methyl-(1-methylpiperidin-4-yl)amino]-1-(2-phenylethyl)-4-thiophen-2-ylpyrrole-2,5-dione 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

3-(4-chlorophenyl)-4-[methyl-(1-methylpiperidin-4-yl)amino]-1-(2-phenylethyl)pyrrole-2,5-dione
CID 110569191
3-(N-ethylanilino)-1-(2-phenylethyl)-4-thiophen-2-ylpyrrole-2,5-dione
CID 110552386
1-(4-butylphenyl)-3-[methyl-(1-methylpiperidin-4-yl)amino]-4-thiophen-2-ylpyrrole-2,5-dione
CID 110554365
3-[2-hydroxyethyl(methyl)amino]-1-(2-phenylethyl)-4-thiophen-2-ylpyrrole-2,5-dione
CID 110552383
1-(2-chlorophenyl)-3-[methyl-(1-methylpiperidin-4-yl)amino]-4-thiophen-2-ylpyrrole-2,5-dione
CID 110555557
3-(4-methylpiperidin-1-yl)-1-(2-phenylethyl)-4-thiophen-2-ylpyrrole-2,5-dione
CID 110552363
3-[ethyl(2-pyridin-4-ylethyl)amino]-1-(2-phenylethyl)-4-thiophen-2-ylpyrrole-2,5-dione
CID 110552382
3-[benzyl(methyl)amino]-1-propyl-4-thiophen-2-ylpyrrole-2,5-dione
CID 110552926
1-[2-(4-chlorophenyl)ethyl]-3-(4-fluorophenyl)-4-[methyl-(1-methylpiperidin-4-yl)amino]pyrrole-2,5-dione
CID 110543156
1-butyl-3-(N-methylanilino)-4-thiophen-2-ylpyrrole-2,5-dione
CID 110552896
3-[4-(3-methylphenyl)piperazin-1-yl]-1-(2-phenylethyl)-4-thiophen-2-ylpyrrole-2,5-dione
CID 110552375
1-butyl-3-(N-ethylanilino)-4-thiophen-2-ylpyrrole-2,5-dione
CID 110552894

Frequently Asked Questions

What is the IUPAC name of 3-[methyl-(1-methylpiperidin-4-yl)amino]-1-(2-phenylethyl)-4-thiophen-2-ylpyrrole-2,5-dione?
The IUPAC name of 3-[methyl-(1-methylpiperidin-4-yl)amino]-1-(2-phenylethyl)-4-thiophen-2-ylpyrrole-2,5-dione (CID 110552381) is 3-[methyl-(1-methylpiperidin-4-yl)amino]-1-(2-phenylethyl)-4-thiophen-2-ylpyrrole-2,5-dione.
What is the SMILES notation for 3-[methyl-(1-methylpiperidin-4-yl)amino]-1-(2-phenylethyl)-4-thiophen-2-ylpyrrole-2,5-dione?
The canonical SMILES for 3-[methyl-(1-methylpiperidin-4-yl)amino]-1-(2-phenylethyl)-4-thiophen-2-ylpyrrole-2,5-dione is CN1CCC(N(C)C2=C(c3cccs3)C(=O)N(CCc3ccccc3)C2=O)CC1.
What is the InChIKey of 3-[methyl-(1-methylpiperidin-4-yl)amino]-1-(2-phenylethyl)-4-thiophen-2-ylpyrrole-2,5-dione?
The InChIKey is XXTKCDXRIGBLLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O2S/c1-24-13-11-18(12-14-24)25(2)21-20(19-9-6-16-29-19)22(27)26(23(21)28)15-10-17-7-4-3-5-8-17/h3-9,16,18H,10-15H2,1-2H3.
What are the key properties of 3-[methyl-(1-methylpiperidin-4-yl)amino]-1-(2-phenylethyl)-4-thiophen-2-ylpyrrole-2,5-dione?
3-[methyl-(1-methylpiperidin-4-yl)amino]-1-(2-phenylethyl)-4-thiophen-2-ylpyrrole-2,5-dione has a molecular weight of 409.56 g/mol, XLogP of 3.10, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[methyl-(1-methylpiperidin-4-yl)amino]-1-(2-phenylethyl)-4-thiophen-2-ylpyrrole-2,5-dione is sourced from PubChem (CID 110552381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).