5-(2-ethylpiperidine-1-carbonyl)-2-(4-methylphenyl)isoindole-1,3-dione

C23H24N2O3 — CID 3587242

IUPAC5-(2-ethylpiperidine-1-carbonyl)-2-(4-methylphenyl)isoindole-1,3-dione
SMILESCCC1CCCCN1C(=O)c1ccc2c(c1)C(=O)N(c1ccc(C)cc1)C2=O
InChIInChI=1S/C23H24N2O3/c1-3-17-6-4-5-13-24(17)21(26)16-9-12-19-20(14-16)23(28)25(22(19)27)18-10-7-15(2)8-11-18/h7-12,14,17H,3-6,13H2,1-2H3
InChIKeyJLUKUAZFHSAJMN-UHFFFAOYSA-N
MW376.46 g/mol
LogP4.20
Rot. Bonds3

About 5-(2-ethylpiperidine-1-carbonyl)-2-(4-methylphenyl)isoindole-1,3-dione

5-(2-ethylpiperidine-1-carbonyl)-2-(4-methylphenyl)isoindole-1,3-dione (PubChem CID 3587242) has the molecular formula C23H24N2O3 and a molecular weight of 376.46 g/mol. Its IUPAC name is 5-(2-ethylpiperidine-1-carbonyl)-2-(4-methylphenyl)isoindole-1,3-dione.

Molecular Properties

Compound Name5-(2-ethylpiperidine-1-carbonyl)-2-(4-methylphenyl)isoindole-1,3-dione
PubChem CID3587242
Molecular FormulaC23H24N2O3
Molecular Weight376.46 g/mol
Exact Mass376.18
IUPAC Name5-(2-ethylpiperidine-1-carbonyl)-2-(4-methylphenyl)isoindole-1,3-dione
SMILESCCC1CCCCN1C(=O)c1ccc2c(c1)C(=O)N(c1ccc(C)cc1)C2=O
InChIInChI=1S/C23H24N2O3/c1-3-17-6-4-5-13-24(17)21(26)16-9-12-19-20(14-16)23(28)25(22(19)27)18-10-7-15(2)8-11-18/h7-12,14,17H,3-6,13H2,1-2H3
InChIKeyJLUKUAZFHSAJMN-UHFFFAOYSA-N
XLogP4.20
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.46
LogP ≤ 54.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-(2-ethylpiperidine-1-carbonyl)-2-(4-methylphenyl)isoindole-1,3-dione?
The IUPAC name of 5-(2-ethylpiperidine-1-carbonyl)-2-(4-methylphenyl)isoindole-1,3-dione (CID 3587242) is 5-(2-ethylpiperidine-1-carbonyl)-2-(4-methylphenyl)isoindole-1,3-dione.
What is the SMILES notation for 5-(2-ethylpiperidine-1-carbonyl)-2-(4-methylphenyl)isoindole-1,3-dione?
The canonical SMILES for 5-(2-ethylpiperidine-1-carbonyl)-2-(4-methylphenyl)isoindole-1,3-dione is CCC1CCCCN1C(=O)c1ccc2c(c1)C(=O)N(c1ccc(C)cc1)C2=O.
What is the InChIKey of 5-(2-ethylpiperidine-1-carbonyl)-2-(4-methylphenyl)isoindole-1,3-dione?
The InChIKey is JLUKUAZFHSAJMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N2O3/c1-3-17-6-4-5-13-24(17)21(26)16-9-12-19-20(14-16)23(28)25(22(19)27)18-10-7-15(2)8-11-18/h7-12,14,17H,3-6,13H2,1-2H3.
What are the key properties of 5-(2-ethylpiperidine-1-carbonyl)-2-(4-methylphenyl)isoindole-1,3-dione?
5-(2-ethylpiperidine-1-carbonyl)-2-(4-methylphenyl)isoindole-1,3-dione has a molecular weight of 376.46 g/mol, XLogP of 4.20, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-ethylpiperidine-1-carbonyl)-2-(4-methylphenyl)isoindole-1,3-dione is sourced from PubChem (CID 3587242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).