1-(3,4-dimethylphenyl)-3-piperidin-1-ylpyrrolidine-2,5-dione

C17H22N2O2 — CID 2732619

IUPAC1-(3,4-dimethylphenyl)-3-piperidin-1-ylpyrrolidine-2,5-dione
SMILESCc1ccc(N2C(=O)CC(N3CCCCC3)C2=O)cc1C
InChIInChI=1S/C17H22N2O2/c1-12-6-7-14(10-13(12)2)19-16(20)11-15(17(19)21)18-8-4-3-5-9-18/h6-7,10,15H,3-5,8-9,11H2,1-2H3
InChIKeyFPPACALVZZTTPJ-UHFFFAOYSA-N
MW286.38 g/mol
LogP2.42
Rot. Bonds2

About 1-(3,4-dimethylphenyl)-3-piperidin-1-ylpyrrolidine-2,5-dione

1-(3,4-dimethylphenyl)-3-piperidin-1-ylpyrrolidine-2,5-dione (PubChem CID 2732619) has the molecular formula C17H22N2O2 and a molecular weight of 286.38 g/mol. Its IUPAC name is 1-(3,4-dimethylphenyl)-3-piperidin-1-ylpyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-(3,4-dimethylphenyl)-3-piperidin-1-ylpyrrolidine-2,5-dione
PubChem CID2732619
Molecular FormulaC17H22N2O2
Molecular Weight286.38 g/mol
Exact Mass286.17
IUPAC Name1-(3,4-dimethylphenyl)-3-piperidin-1-ylpyrrolidine-2,5-dione
SMILESCc1ccc(N2C(=O)CC(N3CCCCC3)C2=O)cc1C
InChIInChI=1S/C17H22N2O2/c1-12-6-7-14(10-13(12)2)19-16(20)11-15(17(19)21)18-8-4-3-5-9-18/h6-7,10,15H,3-5,8-9,11H2,1-2H3
InChIKeyFPPACALVZZTTPJ-UHFFFAOYSA-N
XLogP2.42
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 52.42
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 1-(3,4-dimethylphenyl)-3-piperidin-1-ylpyrrolidine-2,5-dione?
The IUPAC name of 1-(3,4-dimethylphenyl)-3-piperidin-1-ylpyrrolidine-2,5-dione (CID 2732619) is 1-(3,4-dimethylphenyl)-3-piperidin-1-ylpyrrolidine-2,5-dione.
What is the SMILES notation for 1-(3,4-dimethylphenyl)-3-piperidin-1-ylpyrrolidine-2,5-dione?
The canonical SMILES for 1-(3,4-dimethylphenyl)-3-piperidin-1-ylpyrrolidine-2,5-dione is Cc1ccc(N2C(=O)CC(N3CCCCC3)C2=O)cc1C.
What is the InChIKey of 1-(3,4-dimethylphenyl)-3-piperidin-1-ylpyrrolidine-2,5-dione?
The InChIKey is FPPACALVZZTTPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O2/c1-12-6-7-14(10-13(12)2)19-16(20)11-15(17(19)21)18-8-4-3-5-9-18/h6-7,10,15H,3-5,8-9,11H2,1-2H3.
What are the key properties of 1-(3,4-dimethylphenyl)-3-piperidin-1-ylpyrrolidine-2,5-dione?
1-(3,4-dimethylphenyl)-3-piperidin-1-ylpyrrolidine-2,5-dione has a molecular weight of 286.38 g/mol, XLogP of 2.42, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dimethylphenyl)-3-piperidin-1-ylpyrrolidine-2,5-dione is sourced from PubChem (CID 2732619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).