1-[4-[4-(4-methoxyphenyl)piperazine-1-carbonyl]phenyl]pyrrolidine-2,5-dione

C22H23N3O4 — CID 9159086

IUPAC1-[4-[4-(4-methoxyphenyl)piperazine-1-carbonyl]phenyl]pyrrolidine-2,5-dione
SMILESCOc1ccc(N2CCN(C(=O)c3ccc(N4C(=O)CCC4=O)cc3)CC2)cc1
InChIInChI=1S/C22H23N3O4/c1-29-19-8-6-17(7-9-19)23-12-14-24(15-13-23)22(28)16-2-4-18(5-3-16)25-20(26)10-11-21(25)27/h2-9H,10-15H2,1H3
InChIKeyCRUJLBFDSYIKAN-UHFFFAOYSA-N
MW393.44 g/mol
LogP2.31
Rot. Bonds4

About 1-[4-[4-(4-methoxyphenyl)piperazine-1-carbonyl]phenyl]pyrrolidine-2,5-dione

1-[4-[4-(4-methoxyphenyl)piperazine-1-carbonyl]phenyl]pyrrolidine-2,5-dione (PubChem CID 9159086) has the molecular formula C22H23N3O4 and a molecular weight of 393.44 g/mol. Its IUPAC name is 1-[4-[4-(4-methoxyphenyl)piperazine-1-carbonyl]phenyl]pyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-[4-[4-(4-methoxyphenyl)piperazine-1-carbonyl]phenyl]pyrrolidine-2,5-dione
PubChem CID9159086
Molecular FormulaC22H23N3O4
Molecular Weight393.44 g/mol
Exact Mass393.17
IUPAC Name1-[4-[4-(4-methoxyphenyl)piperazine-1-carbonyl]phenyl]pyrrolidine-2,5-dione
SMILESCOc1ccc(N2CCN(C(=O)c3ccc(N4C(=O)CCC4=O)cc3)CC2)cc1
InChIInChI=1S/C22H23N3O4/c1-29-19-8-6-17(7-9-19)23-12-14-24(15-13-23)22(28)16-2-4-18(5-3-16)25-20(26)10-11-21(25)27/h2-9H,10-15H2,1H3
InChIKeyCRUJLBFDSYIKAN-UHFFFAOYSA-N
XLogP2.31
TPSA70.16 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.44
LogP ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

Analyze 1-[4-[4-(4-methoxyphenyl)piperazine-1-carbonyl]phenyl]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

Related Compounds

[4-(4-methoxyphenyl)piperazin-1-yl]-pyridin-4-ylmethanone
CID 1244092
(4-methoxyphenyl)-[4-(4-propan-2-yloxyphenyl)piperazin-1-yl]methanone
CID 113077716
[4-(methoxymethyl)phenyl]-[4-(4-methoxyphenyl)piperazin-1-yl]methanone
CID 6498957
4-[4-(4-methoxyphenyl)piperazine-1-carbonyl]-N-propan-2-ylbenzamide
CID 109043150
[4-(4-methoxyphenyl)piperazin-1-yl]-(4-nitrophenyl)methanone
CID 806461
[4-(diethylamino)phenyl]-[4-(4-methoxyphenyl)piperazin-1-yl]methanone
CID 9159073
[4-[(E)-methoxyiminomethyl]phenyl]-[4-(4-methoxyphenyl)piperazin-1-yl]methanone
CID 78775412
[4-(4-methoxyphenyl)piperazin-1-yl]-[4-(2-methylprop-2-enoxy)phenyl]methanone
CID 40696784
(4-bromo-3,5-dimethoxyphenyl)-[4-(4-methoxyphenyl)piperazin-1-yl]methanone
CID 55413833
[4-(4-methoxybenzoyl)piperazin-1-yl]-phenylmethanone
CID 3150576
[4-(1,3-benzodioxol-5-yl)piperazin-1-yl]-(4-methoxyphenyl)methanone
CID 113079610
[4-(3,4-dichlorophenyl)piperazin-1-yl]-[4-(4-methoxyphenoxy)phenyl]methanone
CID 25093752

Frequently Asked Questions

What is the IUPAC name of 1-[4-[4-(4-methoxyphenyl)piperazine-1-carbonyl]phenyl]pyrrolidine-2,5-dione?
The IUPAC name of 1-[4-[4-(4-methoxyphenyl)piperazine-1-carbonyl]phenyl]pyrrolidine-2,5-dione (CID 9159086) is 1-[4-[4-(4-methoxyphenyl)piperazine-1-carbonyl]phenyl]pyrrolidine-2,5-dione.
What is the SMILES notation for 1-[4-[4-(4-methoxyphenyl)piperazine-1-carbonyl]phenyl]pyrrolidine-2,5-dione?
The canonical SMILES for 1-[4-[4-(4-methoxyphenyl)piperazine-1-carbonyl]phenyl]pyrrolidine-2,5-dione is COc1ccc(N2CCN(C(=O)c3ccc(N4C(=O)CCC4=O)cc3)CC2)cc1.
What is the InChIKey of 1-[4-[4-(4-methoxyphenyl)piperazine-1-carbonyl]phenyl]pyrrolidine-2,5-dione?
The InChIKey is CRUJLBFDSYIKAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O4/c1-29-19-8-6-17(7-9-19)23-12-14-24(15-13-23)22(28)16-2-4-18(5-3-16)25-20(26)10-11-21(25)27/h2-9H,10-15H2,1H3.
What are the key properties of 1-[4-[4-(4-methoxyphenyl)piperazine-1-carbonyl]phenyl]pyrrolidine-2,5-dione?
1-[4-[4-(4-methoxyphenyl)piperazine-1-carbonyl]phenyl]pyrrolidine-2,5-dione has a molecular weight of 393.44 g/mol, XLogP of 2.31, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[4-(4-methoxyphenyl)piperazine-1-carbonyl]phenyl]pyrrolidine-2,5-dione is sourced from PubChem (CID 9159086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).