3-(4-benzylpiperidin-1-yl)-1-prop-2-enyl-4-thiophen-2-ylpyrrole-2,5-dione

C23H24N2O2S — CID 110553544

IUPAC3-(4-benzylpiperidin-1-yl)-1-prop-2-enyl-4-thiophen-2-ylpyrrole-2,5-dione
SMILESC=CCN1C(=O)C(c2cccs2)=C(N2CCC(Cc3ccccc3)CC2)C1=O
InChIInChI=1S/C23H24N2O2S/c1-2-12-25-22(26)20(19-9-6-15-28-19)21(23(25)27)24-13-10-18(11-14-24)16-17-7-4-3-5-8-17/h2-9,15,18H,1,10-14,16H2
InChIKeyGQBNUTPJYHZQTL-UHFFFAOYSA-N
MW392.52 g/mol
LogP3.97
Rot. Bonds6

About 3-(4-benzylpiperidin-1-yl)-1-prop-2-enyl-4-thiophen-2-ylpyrrole-2,5-dione

3-(4-benzylpiperidin-1-yl)-1-prop-2-enyl-4-thiophen-2-ylpyrrole-2,5-dione (PubChem CID 110553544) has the molecular formula C23H24N2O2S and a molecular weight of 392.52 g/mol. Its IUPAC name is 3-(4-benzylpiperidin-1-yl)-1-prop-2-enyl-4-thiophen-2-ylpyrrole-2,5-dione.

Molecular Properties

Compound Name3-(4-benzylpiperidin-1-yl)-1-prop-2-enyl-4-thiophen-2-ylpyrrole-2,5-dione
PubChem CID110553544
Molecular FormulaC23H24N2O2S
Molecular Weight392.52 g/mol
Exact Mass392.16
IUPAC Name3-(4-benzylpiperidin-1-yl)-1-prop-2-enyl-4-thiophen-2-ylpyrrole-2,5-dione
SMILESC=CCN1C(=O)C(c2cccs2)=C(N2CCC(Cc3ccccc3)CC2)C1=O
InChIInChI=1S/C23H24N2O2S/c1-2-12-25-22(26)20(19-9-6-15-28-19)21(23(25)27)24-13-10-18(11-14-24)16-17-7-4-3-5-8-17/h2-9,15,18H,1,10-14,16H2
InChIKeyGQBNUTPJYHZQTL-UHFFFAOYSA-N
XLogP3.97
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.52
LogP ≤ 53.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-(4-benzylpiperidin-1-yl)-1-(3-methylphenyl)-4-thiophen-2-ylpyrrole-2,5-dione
CID 110554688
3-(4-methylpiperidin-1-yl)-1-(2-phenylethyl)-4-thiophen-2-ylpyrrole-2,5-dione
CID 110552363
3-(4-benzylpiperidin-1-yl)-1-ethyl-4-(4-fluorophenyl)pyrrole-2,5-dione
CID 110543753
1-(2-methoxyethyl)-3-(4-methylpiperidin-1-yl)-4-thiophen-2-ylpyrrole-2,5-dione
CID 110553048
1-(2-morpholin-4-ylethyl)-3-(4-phenylpiperazin-1-yl)-4-thiophen-2-ylpyrrole-2,5-dione
CID 110553661
3-(4-benzylpiperidin-1-yl)-1-octyl-4-phenylpyrrole-2,5-dione
CID 110560217
3-(4-benzylpiperidin-1-yl)-4-(4-fluorophenyl)-1-(pyridin-4-ylmethyl)pyrrole-2,5-dione
CID 110543564
3-(4-benzylpiperidin-1-yl)-1-(furan-2-ylmethyl)-4-phenylpyrrole-2,5-dione
CID 110559101
3-[4-(3-methylphenyl)piperazin-1-yl]-1-(2-phenylethyl)-4-thiophen-2-ylpyrrole-2,5-dione
CID 110552375
3-(4-benzylpiperidin-1-yl)-1-cyclohexyl-4-phenylpyrrole-2,5-dione
CID 110559596
3-(4-benzylpiperidin-1-yl)-4-phenyl-1-(2-propan-2-yloxyethyl)pyrrole-2,5-dione
CID 110559557
1-(3-ethoxypropyl)-3-(4-methylpiperidin-1-yl)-4-thiophen-2-ylpyrrole-2,5-dione
CID 110553613

Frequently Asked Questions

What is the IUPAC name of 3-(4-benzylpiperidin-1-yl)-1-prop-2-enyl-4-thiophen-2-ylpyrrole-2,5-dione?
The IUPAC name of 3-(4-benzylpiperidin-1-yl)-1-prop-2-enyl-4-thiophen-2-ylpyrrole-2,5-dione (CID 110553544) is 3-(4-benzylpiperidin-1-yl)-1-prop-2-enyl-4-thiophen-2-ylpyrrole-2,5-dione.
What is the SMILES notation for 3-(4-benzylpiperidin-1-yl)-1-prop-2-enyl-4-thiophen-2-ylpyrrole-2,5-dione?
The canonical SMILES for 3-(4-benzylpiperidin-1-yl)-1-prop-2-enyl-4-thiophen-2-ylpyrrole-2,5-dione is C=CCN1C(=O)C(c2cccs2)=C(N2CCC(Cc3ccccc3)CC2)C1=O.
What is the InChIKey of 3-(4-benzylpiperidin-1-yl)-1-prop-2-enyl-4-thiophen-2-ylpyrrole-2,5-dione?
The InChIKey is GQBNUTPJYHZQTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N2O2S/c1-2-12-25-22(26)20(19-9-6-15-28-19)21(23(25)27)24-13-10-18(11-14-24)16-17-7-4-3-5-8-17/h2-9,15,18H,1,10-14,16H2.
What are the key properties of 3-(4-benzylpiperidin-1-yl)-1-prop-2-enyl-4-thiophen-2-ylpyrrole-2,5-dione?
3-(4-benzylpiperidin-1-yl)-1-prop-2-enyl-4-thiophen-2-ylpyrrole-2,5-dione has a molecular weight of 392.52 g/mol, XLogP of 3.97, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-benzylpiperidin-1-yl)-1-prop-2-enyl-4-thiophen-2-ylpyrrole-2,5-dione is sourced from PubChem (CID 110553544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).