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

C22H22N2O3 — CID 4220719

IUPAC2-(4-methylphenyl)-5-(2-methylpiperidine-1-carbonyl)isoindole-1,3-dione
SMILESCc1ccc(N2C(=O)c3ccc(C(=O)N4CCCCC4C)cc3C2=O)cc1
InChIInChI=1S/C22H22N2O3/c1-14-6-9-17(10-7-14)24-21(26)18-11-8-16(13-19(18)22(24)27)20(25)23-12-4-3-5-15(23)2/h6-11,13,15H,3-5,12H2,1-2H3
InChIKeyCTMRJTXUWWZECO-UHFFFAOYSA-N
MW362.43 g/mol
LogP3.81
Rot. Bonds2

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

2-(4-methylphenyl)-5-(2-methylpiperidine-1-carbonyl)isoindole-1,3-dione (PubChem CID 4220719) has the molecular formula C22H22N2O3 and a molecular weight of 362.43 g/mol. Its IUPAC name is 2-(4-methylphenyl)-5-(2-methylpiperidine-1-carbonyl)isoindole-1,3-dione.

Molecular Properties

Compound Name2-(4-methylphenyl)-5-(2-methylpiperidine-1-carbonyl)isoindole-1,3-dione
PubChem CID4220719
Molecular FormulaC22H22N2O3
Molecular Weight362.43 g/mol
Exact Mass362.16
IUPAC Name2-(4-methylphenyl)-5-(2-methylpiperidine-1-carbonyl)isoindole-1,3-dione
SMILESCc1ccc(N2C(=O)c3ccc(C(=O)N4CCCCC4C)cc3C2=O)cc1
InChIInChI=1S/C22H22N2O3/c1-14-6-9-17(10-7-14)24-21(26)18-11-8-16(13-19(18)22(24)27)20(25)23-12-4-3-5-15(23)2/h6-11,13,15H,3-5,12H2,1-2H3
InChIKeyCTMRJTXUWWZECO-UHFFFAOYSA-N
XLogP3.81
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.43
LogP ≤ 53.81
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 2-(4-methylphenyl)-5-(2-methylpiperidine-1-carbonyl)isoindole-1,3-dione?
The IUPAC name of 2-(4-methylphenyl)-5-(2-methylpiperidine-1-carbonyl)isoindole-1,3-dione (CID 4220719) is 2-(4-methylphenyl)-5-(2-methylpiperidine-1-carbonyl)isoindole-1,3-dione.
What is the SMILES notation for 2-(4-methylphenyl)-5-(2-methylpiperidine-1-carbonyl)isoindole-1,3-dione?
The canonical SMILES for 2-(4-methylphenyl)-5-(2-methylpiperidine-1-carbonyl)isoindole-1,3-dione is Cc1ccc(N2C(=O)c3ccc(C(=O)N4CCCCC4C)cc3C2=O)cc1.
What is the InChIKey of 2-(4-methylphenyl)-5-(2-methylpiperidine-1-carbonyl)isoindole-1,3-dione?
The InChIKey is CTMRJTXUWWZECO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N2O3/c1-14-6-9-17(10-7-14)24-21(26)18-11-8-16(13-19(18)22(24)27)20(25)23-12-4-3-5-15(23)2/h6-11,13,15H,3-5,12H2,1-2H3.
What are the key properties of 2-(4-methylphenyl)-5-(2-methylpiperidine-1-carbonyl)isoindole-1,3-dione?
2-(4-methylphenyl)-5-(2-methylpiperidine-1-carbonyl)isoindole-1,3-dione has a molecular weight of 362.43 g/mol, XLogP of 3.81, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylphenyl)-5-(2-methylpiperidine-1-carbonyl)isoindole-1,3-dione is sourced from PubChem (CID 4220719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).