3-(4-methylpiperidin-1-yl)-1-(2-phenylethyl)-4-thiophen-2-ylpyrrole-2,5-dione

C22H24N2O2S — CID 110552363

IUPAC3-(4-methylpiperidin-1-yl)-1-(2-phenylethyl)-4-thiophen-2-ylpyrrole-2,5-dione
SMILESCC1CCN(C2=C(c3cccs3)C(=O)N(CCc3ccccc3)C2=O)CC1
InChIInChI=1S/C22H24N2O2S/c1-16-9-12-23(13-10-16)20-19(18-8-5-15-27-18)21(25)24(22(20)26)14-11-17-6-3-2-4-7-17/h2-8,15-16H,9-14H2,1H3
InChIKeyPMKGKWRMWNHCEL-UHFFFAOYSA-N
MW380.51 g/mol
LogP3.80
Rot. Bonds5

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

3-(4-methylpiperidin-1-yl)-1-(2-phenylethyl)-4-thiophen-2-ylpyrrole-2,5-dione (PubChem CID 110552363) has the molecular formula C22H24N2O2S and a molecular weight of 380.51 g/mol. Its IUPAC name is 3-(4-methylpiperidin-1-yl)-1-(2-phenylethyl)-4-thiophen-2-ylpyrrole-2,5-dione.

Molecular Properties

Compound Name3-(4-methylpiperidin-1-yl)-1-(2-phenylethyl)-4-thiophen-2-ylpyrrole-2,5-dione
PubChem CID110552363
Molecular FormulaC22H24N2O2S
Molecular Weight380.51 g/mol
Exact Mass380.16
IUPAC Name3-(4-methylpiperidin-1-yl)-1-(2-phenylethyl)-4-thiophen-2-ylpyrrole-2,5-dione
SMILESCC1CCN(C2=C(c3cccs3)C(=O)N(CCc3ccccc3)C2=O)CC1
InChIInChI=1S/C22H24N2O2S/c1-16-9-12-23(13-10-16)20-19(18-8-5-15-27-18)21(25)24(22(20)26)14-11-17-6-3-2-4-7-17/h2-8,15-16H,9-14H2,1H3
InChIKeyPMKGKWRMWNHCEL-UHFFFAOYSA-N
XLogP3.80
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.51
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(2-methoxyethyl)-3-(4-methylpiperidin-1-yl)-4-thiophen-2-ylpyrrole-2,5-dione
CID 110553048
3-(4-methylpiperidin-1-yl)-1-pentyl-4-thiophen-2-ylpyrrole-2,5-dione
CID 110552830
1-(3-ethoxypropyl)-3-(4-methylpiperidin-1-yl)-4-thiophen-2-ylpyrrole-2,5-dione
CID 110553613
3-[4-(3-methylphenyl)piperazin-1-yl]-1-(2-phenylethyl)-4-thiophen-2-ylpyrrole-2,5-dione
CID 110552375
1-[2-(4-chlorophenyl)ethyl]-3-piperidin-1-yl-4-thiophen-2-ylpyrrole-2,5-dione
CID 110552304
1-[2-(4-fluorophenyl)ethyl]-3-piperidin-1-yl-4-thiophen-2-ylpyrrole-2,5-dione
CID 110552332
3-(4-ethoxyphenyl)-4-(4-methylpiperidin-1-yl)-1-(2-phenylethyl)pyrrole-2,5-dione
CID 110546200
1-(furan-2-ylmethyl)-3-(4-methylpiperidin-1-yl)-4-thiophen-2-ylpyrrole-2,5-dione
CID 110552639
1-[2-(4-methoxyphenyl)ethyl]-3-(4-methylpiperidin-1-yl)-4-phenylpyrrole-2,5-dione
CID 110558845
3-[methyl-(1-methylpiperidin-4-yl)amino]-1-(2-phenylethyl)-4-thiophen-2-ylpyrrole-2,5-dione
CID 110552381
3-(4-benzylpiperidin-1-yl)-1-prop-2-enyl-4-thiophen-2-ylpyrrole-2,5-dione
CID 110553544
1-[2-(3,4-dimethoxyphenyl)ethyl]-3-pyrrolidin-1-yl-4-thiophen-2-ylpyrrole-2,5-dione
CID 110552431

Frequently Asked Questions

What is the IUPAC name of 3-(4-methylpiperidin-1-yl)-1-(2-phenylethyl)-4-thiophen-2-ylpyrrole-2,5-dione?
The IUPAC name of 3-(4-methylpiperidin-1-yl)-1-(2-phenylethyl)-4-thiophen-2-ylpyrrole-2,5-dione (CID 110552363) is 3-(4-methylpiperidin-1-yl)-1-(2-phenylethyl)-4-thiophen-2-ylpyrrole-2,5-dione.
What is the SMILES notation for 3-(4-methylpiperidin-1-yl)-1-(2-phenylethyl)-4-thiophen-2-ylpyrrole-2,5-dione?
The canonical SMILES for 3-(4-methylpiperidin-1-yl)-1-(2-phenylethyl)-4-thiophen-2-ylpyrrole-2,5-dione is CC1CCN(C2=C(c3cccs3)C(=O)N(CCc3ccccc3)C2=O)CC1.
What is the InChIKey of 3-(4-methylpiperidin-1-yl)-1-(2-phenylethyl)-4-thiophen-2-ylpyrrole-2,5-dione?
The InChIKey is PMKGKWRMWNHCEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O2S/c1-16-9-12-23(13-10-16)20-19(18-8-5-15-27-18)21(25)24(22(20)26)14-11-17-6-3-2-4-7-17/h2-8,15-16H,9-14H2,1H3.
What are the key properties of 3-(4-methylpiperidin-1-yl)-1-(2-phenylethyl)-4-thiophen-2-ylpyrrole-2,5-dione?
3-(4-methylpiperidin-1-yl)-1-(2-phenylethyl)-4-thiophen-2-ylpyrrole-2,5-dione has a molecular weight of 380.51 g/mol, XLogP of 3.80, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methylpiperidin-1-yl)-1-(2-phenylethyl)-4-thiophen-2-ylpyrrole-2,5-dione is sourced from PubChem (CID 110552363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).