1-(4-methoxyphenyl)-3-[4-[4-(pyridine-3-carbonyl)phenyl]piperazin-1-yl]pyrrolidine-2,5-dione

C27H26N4O4 — CID 2981926

IUPAC1-(4-methoxyphenyl)-3-[4-[4-(pyridine-3-carbonyl)phenyl]piperazin-1-yl]pyrrolidine-2,5-dione
SMILESCOc1ccc(N2C(=O)CC(N3CCN(c4ccc(C(=O)c5cccnc5)cc4)CC3)C2=O)cc1
InChIInChI=1S/C27H26N4O4/c1-35-23-10-8-22(9-11-23)31-25(32)17-24(27(31)34)30-15-13-29(14-16-30)21-6-4-19(5-7-21)26(33)20-3-2-12-28-18-20/h2-12,18,24H,13-17H2,1H3
InChIKeyWYRKRHMJHZIESP-UHFFFAOYSA-N
MW470.53 g/mol
LogP2.78
Rot. Bonds6

About 1-(4-methoxyphenyl)-3-[4-[4-(pyridine-3-carbonyl)phenyl]piperazin-1-yl]pyrrolidine-2,5-dione

1-(4-methoxyphenyl)-3-[4-[4-(pyridine-3-carbonyl)phenyl]piperazin-1-yl]pyrrolidine-2,5-dione (PubChem CID 2981926) has the molecular formula C27H26N4O4 and a molecular weight of 470.53 g/mol. Its IUPAC name is 1-(4-methoxyphenyl)-3-[4-[4-(pyridine-3-carbonyl)phenyl]piperazin-1-yl]pyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-(4-methoxyphenyl)-3-[4-[4-(pyridine-3-carbonyl)phenyl]piperazin-1-yl]pyrrolidine-2,5-dione
PubChem CID2981926
Molecular FormulaC27H26N4O4
Molecular Weight470.53 g/mol
Exact Mass470.20
IUPAC Name1-(4-methoxyphenyl)-3-[4-[4-(pyridine-3-carbonyl)phenyl]piperazin-1-yl]pyrrolidine-2,5-dione
SMILESCOc1ccc(N2C(=O)CC(N3CCN(c4ccc(C(=O)c5cccnc5)cc4)CC3)C2=O)cc1
InChIInChI=1S/C27H26N4O4/c1-35-23-10-8-22(9-11-23)31-25(32)17-24(27(31)34)30-15-13-29(14-16-30)21-6-4-19(5-7-21)26(33)20-3-2-12-28-18-20/h2-12,18,24H,13-17H2,1H3
InChIKeyWYRKRHMJHZIESP-UHFFFAOYSA-N
XLogP2.78
TPSA83.05 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.53
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 1-(4-methoxyphenyl)-3-[4-[4-(pyridine-3-carbonyl)phenyl]piperazin-1-yl]pyrrolidine-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-[4-[4-(pyridine-3-carbonyl)phenyl]piperazin-1-yl]pyrrolidine-2,5-dione?
The IUPAC name of 1-(4-methoxyphenyl)-3-[4-[4-(pyridine-3-carbonyl)phenyl]piperazin-1-yl]pyrrolidine-2,5-dione (CID 2981926) is 1-(4-methoxyphenyl)-3-[4-[4-(pyridine-3-carbonyl)phenyl]piperazin-1-yl]pyrrolidine-2,5-dione.
What is the SMILES notation for 1-(4-methoxyphenyl)-3-[4-[4-(pyridine-3-carbonyl)phenyl]piperazin-1-yl]pyrrolidine-2,5-dione?
The canonical SMILES for 1-(4-methoxyphenyl)-3-[4-[4-(pyridine-3-carbonyl)phenyl]piperazin-1-yl]pyrrolidine-2,5-dione is COc1ccc(N2C(=O)CC(N3CCN(c4ccc(C(=O)c5cccnc5)cc4)CC3)C2=O)cc1.
What is the InChIKey of 1-(4-methoxyphenyl)-3-[4-[4-(pyridine-3-carbonyl)phenyl]piperazin-1-yl]pyrrolidine-2,5-dione?
The InChIKey is WYRKRHMJHZIESP-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26N4O4/c1-35-23-10-8-22(9-11-23)31-25(32)17-24(27(31)34)30-15-13-29(14-16-30)21-6-4-19(5-7-21)26(33)20-3-2-12-28-18-20/h2-12,18,24H,13-17H2,1H3.
What are the key properties of 1-(4-methoxyphenyl)-3-[4-[4-(pyridine-3-carbonyl)phenyl]piperazin-1-yl]pyrrolidine-2,5-dione?
1-(4-methoxyphenyl)-3-[4-[4-(pyridine-3-carbonyl)phenyl]piperazin-1-yl]pyrrolidine-2,5-dione has a molecular weight of 470.53 g/mol, XLogP of 2.78, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxyphenyl)-3-[4-[4-(pyridine-3-carbonyl)phenyl]piperazin-1-yl]pyrrolidine-2,5-dione is sourced from PubChem (CID 2981926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).