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

C16H20N2O3 — CID 2732613

IUPAC1-(4-methoxyphenyl)-3-piperidin-1-ylpyrrolidine-2,5-dione
SMILESCOc1ccc(N2C(=O)CC(N3CCCCC3)C2=O)cc1
InChIInChI=1S/C16H20N2O3/c1-21-13-7-5-12(6-8-13)18-15(19)11-14(16(18)20)17-9-3-2-4-10-17/h5-8,14H,2-4,9-11H2,1H3
InChIKeyFGHXHGXNKZPYCG-UHFFFAOYSA-N
MW288.35 g/mol
LogP1.81
Rot. Bonds3

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

1-(4-methoxyphenyl)-3-piperidin-1-ylpyrrolidine-2,5-dione (PubChem CID 2732613) has the molecular formula C16H20N2O3 and a molecular weight of 288.35 g/mol. Its IUPAC name is 1-(4-methoxyphenyl)-3-piperidin-1-ylpyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-(4-methoxyphenyl)-3-piperidin-1-ylpyrrolidine-2,5-dione
PubChem CID2732613
Molecular FormulaC16H20N2O3
Molecular Weight288.35 g/mol
Exact Mass288.15
IUPAC Name1-(4-methoxyphenyl)-3-piperidin-1-ylpyrrolidine-2,5-dione
SMILESCOc1ccc(N2C(=O)CC(N3CCCCC3)C2=O)cc1
InChIInChI=1S/C16H20N2O3/c1-21-13-7-5-12(6-8-13)18-15(19)11-14(16(18)20)17-9-3-2-4-10-17/h5-8,14H,2-4,9-11H2,1H3
InChIKeyFGHXHGXNKZPYCG-UHFFFAOYSA-N
XLogP1.81
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 51.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 1-(4-methoxyphenyl)-3-piperidin-1-ylpyrrolidine-2,5-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxyphenyl)-3-piperidin-1-ylpyrrolidine-2,5-dione?
The IUPAC name of 1-(4-methoxyphenyl)-3-piperidin-1-ylpyrrolidine-2,5-dione (CID 2732613) is 1-(4-methoxyphenyl)-3-piperidin-1-ylpyrrolidine-2,5-dione.
What is the SMILES notation for 1-(4-methoxyphenyl)-3-piperidin-1-ylpyrrolidine-2,5-dione?
The canonical SMILES for 1-(4-methoxyphenyl)-3-piperidin-1-ylpyrrolidine-2,5-dione is COc1ccc(N2C(=O)CC(N3CCCCC3)C2=O)cc1.
What is the InChIKey of 1-(4-methoxyphenyl)-3-piperidin-1-ylpyrrolidine-2,5-dione?
The InChIKey is FGHXHGXNKZPYCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O3/c1-21-13-7-5-12(6-8-13)18-15(19)11-14(16(18)20)17-9-3-2-4-10-17/h5-8,14H,2-4,9-11H2,1H3.
What are the key properties of 1-(4-methoxyphenyl)-3-piperidin-1-ylpyrrolidine-2,5-dione?
1-(4-methoxyphenyl)-3-piperidin-1-ylpyrrolidine-2,5-dione has a molecular weight of 288.35 g/mol, XLogP of 1.81, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxyphenyl)-3-piperidin-1-ylpyrrolidine-2,5-dione is sourced from PubChem (CID 2732613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).