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

C25H31N3O2S — CID 110554365

IUPAC1-(4-butylphenyl)-3-[methyl-(1-methylpiperidin-4-yl)amino]-4-thiophen-2-ylpyrrole-2,5-dione
SMILESCCCCc1ccc(N2C(=O)C(c3cccs3)=C(N(C)C3CCN(C)CC3)C2=O)cc1
InChIInChI=1S/C25H31N3O2S/c1-4-5-7-18-9-11-20(12-10-18)28-24(29)22(21-8-6-17-31-21)23(25(28)30)27(3)19-13-15-26(2)16-14-19/h6,8-12,17,19H,4-5,7,13-16H2,1-3H3
InChIKeyRAWCERDQMKYLMP-UHFFFAOYSA-N
MW437.61 g/mol
LogP4.40
Rot. Bonds7

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

1-(4-butylphenyl)-3-[methyl-(1-methylpiperidin-4-yl)amino]-4-thiophen-2-ylpyrrole-2,5-dione (PubChem CID 110554365) has the molecular formula C25H31N3O2S and a molecular weight of 437.61 g/mol. Its IUPAC name is 1-(4-butylphenyl)-3-[methyl-(1-methylpiperidin-4-yl)amino]-4-thiophen-2-ylpyrrole-2,5-dione.

Molecular Properties

Compound Name1-(4-butylphenyl)-3-[methyl-(1-methylpiperidin-4-yl)amino]-4-thiophen-2-ylpyrrole-2,5-dione
PubChem CID110554365
Molecular FormulaC25H31N3O2S
Molecular Weight437.61 g/mol
Exact Mass437.21
IUPAC Name1-(4-butylphenyl)-3-[methyl-(1-methylpiperidin-4-yl)amino]-4-thiophen-2-ylpyrrole-2,5-dione
SMILESCCCCc1ccc(N2C(=O)C(c3cccs3)=C(N(C)C3CCN(C)CC3)C2=O)cc1
InChIInChI=1S/C25H31N3O2S/c1-4-5-7-18-9-11-20(12-10-18)28-24(29)22(21-8-6-17-31-21)23(25(28)30)27(3)19-13-15-26(2)16-14-19/h6,8-12,17,19H,4-5,7,13-16H2,1-3H3
InChIKeyRAWCERDQMKYLMP-UHFFFAOYSA-N
XLogP4.40
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.61
LogP ≤ 54.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 1-(4-butylphenyl)-3-[methyl-(1-methylpiperidin-4-yl)amino]-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-[methyl-(1-methylpiperidin-4-yl)amino]-1-(2-phenylethyl)-4-thiophen-2-ylpyrrole-2,5-dione
CID 110552381
1-(2-chlorophenyl)-3-[methyl-(1-methylpiperidin-4-yl)amino]-4-thiophen-2-ylpyrrole-2,5-dione
CID 110555557
1-(4-butylphenyl)-3-(4-ethoxyanilino)-4-thiophen-2-ylpyrrole-2,5-dione
CID 110591681
3-[benzyl(methyl)amino]-1-(4-ethylphenyl)-4-thiophen-2-ylpyrrole-2,5-dione
CID 110554303
1-[4-(dimethylamino)phenyl]-3-[methyl-(1-methylpiperidin-4-yl)amino]-4-phenylpyrrole-2,5-dione
CID 110558728
1-(4-butylphenyl)-3-(3,4-dimethylanilino)-4-thiophen-2-ylpyrrole-2,5-dione
CID 110591678
3-(4-ethoxyphenyl)-4-[methyl-(1-methylpiperidin-4-yl)amino]-1-phenylpyrrole-2,5-dione
CID 110547621
1-[4-(diethylamino)phenyl]-3-[2-hydroxyethyl(methyl)amino]-4-thiophen-2-ylpyrrole-2,5-dione
CID 110552260
3-(N-ethylanilino)-4-thiophen-2-yl-1-[4-(trifluoromethyl)phenyl]pyrrole-2,5-dione
CID 110555436
1-(4-chlorophenyl)-3-(4-ethoxyphenyl)-4-[methyl-(1-methylpiperidin-4-yl)amino]pyrrole-2,5-dione
CID 110547650
1-[4-(dimethylamino)phenyl]-3-pyrrolidin-1-yl-4-thiophen-2-ylpyrrole-2,5-dione
CID 110552277
1-[4-(dimethylamino)phenyl]-3-piperidin-1-yl-4-thiophen-2-ylpyrrole-2,5-dione
CID 110552273

Frequently Asked Questions

What is the IUPAC name of 1-(4-butylphenyl)-3-[methyl-(1-methylpiperidin-4-yl)amino]-4-thiophen-2-ylpyrrole-2,5-dione?
The IUPAC name of 1-(4-butylphenyl)-3-[methyl-(1-methylpiperidin-4-yl)amino]-4-thiophen-2-ylpyrrole-2,5-dione (CID 110554365) is 1-(4-butylphenyl)-3-[methyl-(1-methylpiperidin-4-yl)amino]-4-thiophen-2-ylpyrrole-2,5-dione.
What is the SMILES notation for 1-(4-butylphenyl)-3-[methyl-(1-methylpiperidin-4-yl)amino]-4-thiophen-2-ylpyrrole-2,5-dione?
The canonical SMILES for 1-(4-butylphenyl)-3-[methyl-(1-methylpiperidin-4-yl)amino]-4-thiophen-2-ylpyrrole-2,5-dione is CCCCc1ccc(N2C(=O)C(c3cccs3)=C(N(C)C3CCN(C)CC3)C2=O)cc1.
What is the InChIKey of 1-(4-butylphenyl)-3-[methyl-(1-methylpiperidin-4-yl)amino]-4-thiophen-2-ylpyrrole-2,5-dione?
The InChIKey is RAWCERDQMKYLMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31N3O2S/c1-4-5-7-18-9-11-20(12-10-18)28-24(29)22(21-8-6-17-31-21)23(25(28)30)27(3)19-13-15-26(2)16-14-19/h6,8-12,17,19H,4-5,7,13-16H2,1-3H3.
What are the key properties of 1-(4-butylphenyl)-3-[methyl-(1-methylpiperidin-4-yl)amino]-4-thiophen-2-ylpyrrole-2,5-dione?
1-(4-butylphenyl)-3-[methyl-(1-methylpiperidin-4-yl)amino]-4-thiophen-2-ylpyrrole-2,5-dione has a molecular weight of 437.61 g/mol, XLogP of 4.40, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-butylphenyl)-3-[methyl-(1-methylpiperidin-4-yl)amino]-4-thiophen-2-ylpyrrole-2,5-dione is sourced from PubChem (CID 110554365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).