3-(2-methoxyphenyl)-1-(2-methylphenyl)-4-piperidin-1-ylpyrrole-2,5-dione

C23H24N2O3 — CID 110567665

IUPAC3-(2-methoxyphenyl)-1-(2-methylphenyl)-4-piperidin-1-ylpyrrole-2,5-dione
SMILESCOc1ccccc1C1=C(N2CCCCC2)C(=O)N(c2ccccc2C)C1=O
InChIInChI=1S/C23H24N2O3/c1-16-10-4-6-12-18(16)25-22(26)20(17-11-5-7-13-19(17)28-2)21(23(25)27)24-14-8-3-9-15-24/h4-7,10-13H,3,8-9,14-15H2,1-2H3
InChIKeyNCKCZKHMCHXNQJ-UHFFFAOYSA-N
MW376.46 g/mol
LogP3.77
Rot. Bonds4

About 3-(2-methoxyphenyl)-1-(2-methylphenyl)-4-piperidin-1-ylpyrrole-2,5-dione

3-(2-methoxyphenyl)-1-(2-methylphenyl)-4-piperidin-1-ylpyrrole-2,5-dione (PubChem CID 110567665) has the molecular formula C23H24N2O3 and a molecular weight of 376.46 g/mol. Its IUPAC name is 3-(2-methoxyphenyl)-1-(2-methylphenyl)-4-piperidin-1-ylpyrrole-2,5-dione.

Molecular Properties

Compound Name3-(2-methoxyphenyl)-1-(2-methylphenyl)-4-piperidin-1-ylpyrrole-2,5-dione
PubChem CID110567665
Molecular FormulaC23H24N2O3
Molecular Weight376.46 g/mol
Exact Mass376.18
IUPAC Name3-(2-methoxyphenyl)-1-(2-methylphenyl)-4-piperidin-1-ylpyrrole-2,5-dione
SMILESCOc1ccccc1C1=C(N2CCCCC2)C(=O)N(c2ccccc2C)C1=O
InChIInChI=1S/C23H24N2O3/c1-16-10-4-6-12-18(16)25-22(26)20(17-11-5-7-13-19(17)28-2)21(23(25)27)24-14-8-3-9-15-24/h4-7,10-13H,3,8-9,14-15H2,1-2H3
InChIKeyNCKCZKHMCHXNQJ-UHFFFAOYSA-N
XLogP3.77
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.46
LogP ≤ 53.77
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-fluorophenyl)-3-(2-methoxyphenyl)-4-pyrrolidin-1-ylpyrrole-2,5-dione
CID 110566805
1-(3-chloro-2-methylphenyl)-3-(2-methoxyphenyl)-4-pyrrolidin-1-ylpyrrole-2,5-dione
CID 110566706
3-(2-methoxyphenyl)-4-piperidin-1-yl-1-(2-propoxyphenyl)pyrrole-2,5-dione
CID 110567397
3-(2,6-dimethylmorpholin-4-yl)-4-(2-methoxyphenyl)-1-(2-methylphenyl)pyrrole-2,5-dione
CID 110567672
3-(2-methoxyphenyl)-1-(4-methoxyphenyl)-4-pyrrolidin-1-ylpyrrole-2,5-dione
CID 110566864
1-(5-chloro-2-methylphenyl)-3-(2-methoxyphenyl)-4-morpholin-4-ylpyrrole-2,5-dione
CID 110566840
1-(4-ethoxyphenyl)-3-(2-methoxyphenyl)-4-pyrrolidin-1-ylpyrrole-2,5-dione
CID 110566974
3-[4-(2-hydroxyethyl)piperazin-1-yl]-1,4-bis(2-methoxyphenyl)pyrrole-2,5-dione
CID 110567460
1-(2,4-dimethylphenyl)-3-[4-(2-hydroxyethyl)piperazin-1-yl]-4-(2-methoxyphenyl)pyrrole-2,5-dione
CID 110567587
3-(2,4-dimethylphenyl)-1-(2-ethoxyphenyl)-4-piperidin-1-ylpyrrole-2,5-dione
CID 110579398
1-(4-chloro-2-methylphenyl)-3-[3-(hydroxymethyl)piperidin-1-yl]-4-(2-methoxyphenyl)pyrrole-2,5-dione
CID 110567542
3-(2-methoxyphenyl)-4-morpholin-4-yl-1-(2-propoxyphenyl)pyrrole-2,5-dione
CID 110567402

Frequently Asked Questions

What is the IUPAC name of 3-(2-methoxyphenyl)-1-(2-methylphenyl)-4-piperidin-1-ylpyrrole-2,5-dione?
The IUPAC name of 3-(2-methoxyphenyl)-1-(2-methylphenyl)-4-piperidin-1-ylpyrrole-2,5-dione (CID 110567665) is 3-(2-methoxyphenyl)-1-(2-methylphenyl)-4-piperidin-1-ylpyrrole-2,5-dione.
What is the SMILES notation for 3-(2-methoxyphenyl)-1-(2-methylphenyl)-4-piperidin-1-ylpyrrole-2,5-dione?
The canonical SMILES for 3-(2-methoxyphenyl)-1-(2-methylphenyl)-4-piperidin-1-ylpyrrole-2,5-dione is COc1ccccc1C1=C(N2CCCCC2)C(=O)N(c2ccccc2C)C1=O.
What is the InChIKey of 3-(2-methoxyphenyl)-1-(2-methylphenyl)-4-piperidin-1-ylpyrrole-2,5-dione?
The InChIKey is NCKCZKHMCHXNQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N2O3/c1-16-10-4-6-12-18(16)25-22(26)20(17-11-5-7-13-19(17)28-2)21(23(25)27)24-14-8-3-9-15-24/h4-7,10-13H,3,8-9,14-15H2,1-2H3.
What are the key properties of 3-(2-methoxyphenyl)-1-(2-methylphenyl)-4-piperidin-1-ylpyrrole-2,5-dione?
3-(2-methoxyphenyl)-1-(2-methylphenyl)-4-piperidin-1-ylpyrrole-2,5-dione has a molecular weight of 376.46 g/mol, XLogP of 3.77, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methoxyphenyl)-1-(2-methylphenyl)-4-piperidin-1-ylpyrrole-2,5-dione is sourced from PubChem (CID 110567665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).