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

C21H22N4O5 — CID 2833545

IUPAC1-(2-methoxyphenyl)-3-[4-(4-nitrophenyl)piperazin-1-yl]pyrrolidine-2,5-dione
SMILESCOc1ccccc1N1C(=O)CC(N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)C1=O
InChIInChI=1S/C21H22N4O5/c1-30-19-5-3-2-4-17(19)24-20(26)14-18(21(24)27)23-12-10-22(11-13-23)15-6-8-16(9-7-15)25(28)29/h2-9,18H,10-14H2,1H3
InChIKeySGJXIYTUANEXGE-UHFFFAOYSA-N
MW410.43 g/mol
LogP2.06
Rot. Bonds5

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

1-(2-methoxyphenyl)-3-[4-(4-nitrophenyl)piperazin-1-yl]pyrrolidine-2,5-dione (PubChem CID 2833545) has the molecular formula C21H22N4O5 and a molecular weight of 410.43 g/mol. Its IUPAC name is 1-(2-methoxyphenyl)-3-[4-(4-nitrophenyl)piperazin-1-yl]pyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-(2-methoxyphenyl)-3-[4-(4-nitrophenyl)piperazin-1-yl]pyrrolidine-2,5-dione
PubChem CID2833545
Molecular FormulaC21H22N4O5
Molecular Weight410.43 g/mol
Exact Mass410.16
IUPAC Name1-(2-methoxyphenyl)-3-[4-(4-nitrophenyl)piperazin-1-yl]pyrrolidine-2,5-dione
SMILESCOc1ccccc1N1C(=O)CC(N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)C1=O
InChIInChI=1S/C21H22N4O5/c1-30-19-5-3-2-4-17(19)24-20(26)14-18(21(24)27)23-12-10-22(11-13-23)15-6-8-16(9-7-15)25(28)29/h2-9,18H,10-14H2,1H3
InChIKeySGJXIYTUANEXGE-UHFFFAOYSA-N
XLogP2.06
TPSA96.23 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.43
LogP ≤ 52.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

Analyze 1-(2-methoxyphenyl)-3-[4-(4-nitrophenyl)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

Related Compounds

1-(2-Ethoxy-phenyl)-3-(hydroxy-phenyl-amino)-pyrrolidine-2,5-dione
CID 2856113
1-(4-(4-(2-Methoxyphenyl)-1-piperazinyl)butyl)-2,5-pyrrolidinedione
CID 3994476
3-(N-hydroxyanilino)-1-(2-propoxyphenyl)pyrrolidine-2,5-dione
CID 2859218
3-[(4-Methoxyphenyl)amino]-1-(3-nitrophenyl)pyrrolidine-2,5-dione
CID 2972083
3-(Hydroxy(phenyl)amino)-1-(2-methoxyphenyl)pyrrolidine-2,5-dione
CID 3740692
1-(4-Fluorophenyl)-3-(hydroxy(2-methoxyphenyl)amino)pyrrolidine-2,5-dione
CID 662161
N-(2-methoxy-5-nitrophenyl)-3-(4-phenylpiperazin-1-yl)propanamide
CID 1340159
1-(4-Methoxyphenyl)-3-(morpholin-4-yl)pyrrolidine-2,5-dione
CID 2732615
3-(4-{4-Nitrophenyl}-1-piperazinyl)-1-(4-propoxyphenyl)-2,5-pyrrolidinedione
CID 2853519
N-(2-methoxy-5-nitrophenyl)-3-[4-(2-methoxyphenyl)piperazin-1-yl]propanamide
CID 2901726
1-{4-[4-(2-Methoxyphenyl)piperazin-1-yl]-3-nitrophenyl}pyrrolidine-2,5-dione
CID 15995982
1-(3-Chlorophenyl)-3-[4-(2-methoxyphenyl)piperazin-1-yl]pyrrolidine-2,5-dione
CID 2833606

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyphenyl)-3-[4-(4-nitrophenyl)piperazin-1-yl]pyrrolidine-2,5-dione?
The IUPAC name of 1-(2-methoxyphenyl)-3-[4-(4-nitrophenyl)piperazin-1-yl]pyrrolidine-2,5-dione (CID 2833545) is 1-(2-methoxyphenyl)-3-[4-(4-nitrophenyl)piperazin-1-yl]pyrrolidine-2,5-dione.
What is the SMILES notation for 1-(2-methoxyphenyl)-3-[4-(4-nitrophenyl)piperazin-1-yl]pyrrolidine-2,5-dione?
The canonical SMILES for 1-(2-methoxyphenyl)-3-[4-(4-nitrophenyl)piperazin-1-yl]pyrrolidine-2,5-dione is COc1ccccc1N1C(=O)CC(N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)C1=O.
What is the InChIKey of 1-(2-methoxyphenyl)-3-[4-(4-nitrophenyl)piperazin-1-yl]pyrrolidine-2,5-dione?
The InChIKey is SGJXIYTUANEXGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O5/c1-30-19-5-3-2-4-17(19)24-20(26)14-18(21(24)27)23-12-10-22(11-13-23)15-6-8-16(9-7-15)25(28)29/h2-9,18H,10-14H2,1H3.
What are the key properties of 1-(2-methoxyphenyl)-3-[4-(4-nitrophenyl)piperazin-1-yl]pyrrolidine-2,5-dione?
1-(2-methoxyphenyl)-3-[4-(4-nitrophenyl)piperazin-1-yl]pyrrolidine-2,5-dione has a molecular weight of 410.43 g/mol, XLogP of 2.06, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyphenyl)-3-[4-(4-nitrophenyl)piperazin-1-yl]pyrrolidine-2,5-dione is sourced from PubChem (CID 2833545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).