1-(3,5-dimethoxyphenyl)-3-phenyl-4-piperidin-1-ylpyrrole-2,5-dione

C23H24N2O4 — CID 110558417

IUPAC1-(3,5-dimethoxyphenyl)-3-phenyl-4-piperidin-1-ylpyrrole-2,5-dione
SMILESCOc1cc(OC)cc(N2C(=O)C(c3ccccc3)=C(N3CCCCC3)C2=O)c1
InChIInChI=1S/C23H24N2O4/c1-28-18-13-17(14-19(15-18)29-2)25-22(26)20(16-9-5-3-6-10-16)21(23(25)27)24-11-7-4-8-12-24/h3,5-6,9-10,13-15H,4,7-8,11-12H2,1-2H3
InChIKeyUEZFIXQOBVTUNK-UHFFFAOYSA-N
MW392.46 g/mol
LogP3.47
Rot. Bonds5

About 1-(3,5-dimethoxyphenyl)-3-phenyl-4-piperidin-1-ylpyrrole-2,5-dione

1-(3,5-dimethoxyphenyl)-3-phenyl-4-piperidin-1-ylpyrrole-2,5-dione (PubChem CID 110558417) has the molecular formula C23H24N2O4 and a molecular weight of 392.46 g/mol. Its IUPAC name is 1-(3,5-dimethoxyphenyl)-3-phenyl-4-piperidin-1-ylpyrrole-2,5-dione.

Molecular Properties

Compound Name1-(3,5-dimethoxyphenyl)-3-phenyl-4-piperidin-1-ylpyrrole-2,5-dione
PubChem CID110558417
Molecular FormulaC23H24N2O4
Molecular Weight392.46 g/mol
Exact Mass392.17
IUPAC Name1-(3,5-dimethoxyphenyl)-3-phenyl-4-piperidin-1-ylpyrrole-2,5-dione
SMILESCOc1cc(OC)cc(N2C(=O)C(c3ccccc3)=C(N3CCCCC3)C2=O)c1
InChIInChI=1S/C23H24N2O4/c1-28-18-13-17(14-19(15-18)29-2)25-22(26)20(16-9-5-3-6-10-16)21(23(25)27)24-11-7-4-8-12-24/h3,5-6,9-10,13-15H,4,7-8,11-12H2,1-2H3
InChIKeyUEZFIXQOBVTUNK-UHFFFAOYSA-N
XLogP3.47
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.46
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-(4-methoxyphenyl)-1-phenyl-4-pyrrolidin-1-ylpyrrole-2,5-dione
CID 110557556
1,3-diphenyl-4-piperidin-1-ylpyrrole-2,5-dione
CID 22728644
1-(3,5-dimethoxyphenyl)-3-[4-(2-hydroxyethyl)piperazin-1-yl]-4-phenylpyrrole-2,5-dione
CID 110558427
1-(3,5-dichlorophenyl)-3-(4-methoxyphenyl)-4-piperidin-1-ylpyrrole-2,5-dione
CID 110557226
1-(2,5-dimethoxyphenyl)-3-phenyl-4-pyrrolidin-1-ylpyrrole-2,5-dione
CID 110560804
1-(3-ethoxyphenyl)-3-phenyl-4-pyrrolidin-1-ylpyrrole-2,5-dione
CID 110558487
1-(4-methoxyphenyl)-3-(4-methylpiperazin-1-yl)-4-phenylpyrrole-2,5-dione
CID 110560737
3-phenyl-4-piperidin-1-yl-1-(3-propoxyphenyl)pyrrole-2,5-dione
CID 110558320
1-[3-(dimethylamino)phenyl]-3-(4-methoxyphenyl)-4-piperidin-1-ylpyrrole-2,5-dione
CID 110558135
1-(3-methoxyphenyl)-3-piperidin-1-yl-4-(4-propan-2-yloxyphenyl)pyrrole-2,5-dione
CID 110574844
1-(3,4-diethoxyphenyl)-3-phenyl-4-piperidin-1-ylpyrrole-2,5-dione
CID 110561726
3-phenyl-1-(4-phenylmethoxyphenyl)-4-piperidin-1-ylpyrrole-2,5-dione
CID 110561432

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dimethoxyphenyl)-3-phenyl-4-piperidin-1-ylpyrrole-2,5-dione?
The IUPAC name of 1-(3,5-dimethoxyphenyl)-3-phenyl-4-piperidin-1-ylpyrrole-2,5-dione (CID 110558417) is 1-(3,5-dimethoxyphenyl)-3-phenyl-4-piperidin-1-ylpyrrole-2,5-dione.
What is the SMILES notation for 1-(3,5-dimethoxyphenyl)-3-phenyl-4-piperidin-1-ylpyrrole-2,5-dione?
The canonical SMILES for 1-(3,5-dimethoxyphenyl)-3-phenyl-4-piperidin-1-ylpyrrole-2,5-dione is COc1cc(OC)cc(N2C(=O)C(c3ccccc3)=C(N3CCCCC3)C2=O)c1.
What is the InChIKey of 1-(3,5-dimethoxyphenyl)-3-phenyl-4-piperidin-1-ylpyrrole-2,5-dione?
The InChIKey is UEZFIXQOBVTUNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N2O4/c1-28-18-13-17(14-19(15-18)29-2)25-22(26)20(16-9-5-3-6-10-16)21(23(25)27)24-11-7-4-8-12-24/h3,5-6,9-10,13-15H,4,7-8,11-12H2,1-2H3.
What are the key properties of 1-(3,5-dimethoxyphenyl)-3-phenyl-4-piperidin-1-ylpyrrole-2,5-dione?
1-(3,5-dimethoxyphenyl)-3-phenyl-4-piperidin-1-ylpyrrole-2,5-dione has a molecular weight of 392.46 g/mol, XLogP of 3.47, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dimethoxyphenyl)-3-phenyl-4-piperidin-1-ylpyrrole-2,5-dione is sourced from PubChem (CID 110558417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).