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

C26H24N2O3 — CID 110557771

IUPAC3-(4-methoxyphenyl)-1-naphthalen-1-yl-4-piperidin-1-ylpyrrole-2,5-dione
SMILESCOc1ccc(C2=C(N3CCCCC3)C(=O)N(c3cccc4ccccc34)C2=O)cc1
InChIInChI=1S/C26H24N2O3/c1-31-20-14-12-19(13-15-20)23-24(27-16-5-2-6-17-27)26(30)28(25(23)29)22-11-7-9-18-8-3-4-10-21(18)22/h3-4,7-15H,2,5-6,16-17H2,1H3
InChIKeyQLLJGUPZYBNJCZ-UHFFFAOYSA-N
MW412.49 g/mol
LogP4.62
Rot. Bonds4

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

3-(4-methoxyphenyl)-1-naphthalen-1-yl-4-piperidin-1-ylpyrrole-2,5-dione (PubChem CID 110557771) has the molecular formula C26H24N2O3 and a molecular weight of 412.49 g/mol. Its IUPAC name is 3-(4-methoxyphenyl)-1-naphthalen-1-yl-4-piperidin-1-ylpyrrole-2,5-dione.

Molecular Properties

Compound Name3-(4-methoxyphenyl)-1-naphthalen-1-yl-4-piperidin-1-ylpyrrole-2,5-dione
PubChem CID110557771
Molecular FormulaC26H24N2O3
Molecular Weight412.49 g/mol
Exact Mass412.18
IUPAC Name3-(4-methoxyphenyl)-1-naphthalen-1-yl-4-piperidin-1-ylpyrrole-2,5-dione
SMILESCOc1ccc(C2=C(N3CCCCC3)C(=O)N(c3cccc4ccccc34)C2=O)cc1
InChIInChI=1S/C26H24N2O3/c1-31-20-14-12-19(13-15-20)23-24(27-16-5-2-6-17-27)26(30)28(25(23)29)22-11-7-9-18-8-3-4-10-21(18)22/h3-4,7-15H,2,5-6,16-17H2,1H3
InChIKeyQLLJGUPZYBNJCZ-UHFFFAOYSA-N
XLogP4.62
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.49
LogP ≤ 54.62
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

3-(4-methoxyphenyl)-1-naphthalen-1-yl-4-pyrrolidin-1-ylpyrrole-2,5-dione
CID 110557775
3-(4-methylphenyl)-1-naphthalen-1-yl-4-pyrrolidin-1-ylpyrrole-2,5-dione
CID 110574193
3-(4-methoxyphenyl)-1-phenyl-4-pyrrolidin-1-ylpyrrole-2,5-dione
CID 110557556
3-(2,4-dimethylphenyl)-1-naphthalen-1-yl-4-piperidin-1-ylpyrrole-2,5-dione
CID 110580030
3-(4-methoxyphenyl)-1-methyl-4-piperidin-1-ylpyrrole-2,5-dione
CID 110556345
3-(4-methylphenyl)-4-(3-methylpiperidin-1-yl)-1-naphthalen-1-ylpyrrole-2,5-dione
CID 110574191
1-(2,5-dimethoxyphenyl)-3-phenyl-4-pyrrolidin-1-ylpyrrole-2,5-dione
CID 110560804
1-(3,5-dichlorophenyl)-3-(4-methoxyphenyl)-4-piperidin-1-ylpyrrole-2,5-dione
CID 110557226
1-(2,5-difluorophenyl)-3-(4-methoxyphenyl)-4-pyrrolidin-1-ylpyrrole-2,5-dione
CID 110558240
3-(4-methoxyphenyl)-1-(2-methylphenyl)-4-morpholin-4-ylpyrrole-2,5-dione
CID 110558108
1-(3,5-dimethoxyphenyl)-3-phenyl-4-piperidin-1-ylpyrrole-2,5-dione
CID 110558417
1-[3-(dimethylamino)phenyl]-3-(4-methoxyphenyl)-4-piperidin-1-ylpyrrole-2,5-dione
CID 110558135

Frequently Asked Questions

What is the IUPAC name of 3-(4-methoxyphenyl)-1-naphthalen-1-yl-4-piperidin-1-ylpyrrole-2,5-dione?
The IUPAC name of 3-(4-methoxyphenyl)-1-naphthalen-1-yl-4-piperidin-1-ylpyrrole-2,5-dione (CID 110557771) is 3-(4-methoxyphenyl)-1-naphthalen-1-yl-4-piperidin-1-ylpyrrole-2,5-dione.
What is the SMILES notation for 3-(4-methoxyphenyl)-1-naphthalen-1-yl-4-piperidin-1-ylpyrrole-2,5-dione?
The canonical SMILES for 3-(4-methoxyphenyl)-1-naphthalen-1-yl-4-piperidin-1-ylpyrrole-2,5-dione is COc1ccc(C2=C(N3CCCCC3)C(=O)N(c3cccc4ccccc34)C2=O)cc1.
What is the InChIKey of 3-(4-methoxyphenyl)-1-naphthalen-1-yl-4-piperidin-1-ylpyrrole-2,5-dione?
The InChIKey is QLLJGUPZYBNJCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N2O3/c1-31-20-14-12-19(13-15-20)23-24(27-16-5-2-6-17-27)26(30)28(25(23)29)22-11-7-9-18-8-3-4-10-21(18)22/h3-4,7-15H,2,5-6,16-17H2,1H3.
What are the key properties of 3-(4-methoxyphenyl)-1-naphthalen-1-yl-4-piperidin-1-ylpyrrole-2,5-dione?
3-(4-methoxyphenyl)-1-naphthalen-1-yl-4-piperidin-1-ylpyrrole-2,5-dione has a molecular weight of 412.49 g/mol, XLogP of 4.62, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methoxyphenyl)-1-naphthalen-1-yl-4-piperidin-1-ylpyrrole-2,5-dione is sourced from PubChem (CID 110557771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).