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

C21H22ClN3O3 — CID 2833606

IUPAC1-(3-chlorophenyl)-3-[4-(2-methoxyphenyl)piperazin-1-yl]pyrrolidine-2,5-dione
SMILESCOc1ccccc1N1CCN(C2CC(=O)N(c3cccc(Cl)c3)C2=O)CC1
InChIInChI=1S/C21H22ClN3O3/c1-28-19-8-3-2-7-17(19)23-9-11-24(12-10-23)18-14-20(26)25(21(18)27)16-6-4-5-15(22)13-16/h2-8,13,18H,9-12,14H2,1H3
InChIKeyIVJGVNZZTSPELE-UHFFFAOYSA-N
MW399.88 g/mol
LogP2.80
Rot. Bonds4

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

1-(3-chlorophenyl)-3-[4-(2-methoxyphenyl)piperazin-1-yl]pyrrolidine-2,5-dione (PubChem CID 2833606) has the molecular formula C21H22ClN3O3 and a molecular weight of 399.88 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-3-[4-(2-methoxyphenyl)piperazin-1-yl]pyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-(3-chlorophenyl)-3-[4-(2-methoxyphenyl)piperazin-1-yl]pyrrolidine-2,5-dione
PubChem CID2833606
Molecular FormulaC21H22ClN3O3
Molecular Weight399.88 g/mol
Exact Mass399.13
IUPAC Name1-(3-chlorophenyl)-3-[4-(2-methoxyphenyl)piperazin-1-yl]pyrrolidine-2,5-dione
SMILESCOc1ccccc1N1CCN(C2CC(=O)N(c3cccc(Cl)c3)C2=O)CC1
InChIInChI=1S/C21H22ClN3O3/c1-28-19-8-3-2-7-17(19)23-9-11-24(12-10-23)18-14-20(26)25(21(18)27)16-6-4-5-15(22)13-16/h2-8,13,18H,9-12,14H2,1H3
InChIKeyIVJGVNZZTSPELE-UHFFFAOYSA-N
XLogP2.80
TPSA53.09 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.88
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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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
N-(5-chloro-2-methoxyphenyl)-3-morpholin-4-ylpropanamide
CID 567615
2,5-Pyrrolidinedione, 1-(4-methoxyphenyl)-3-(1-piperidinyl)-
CID 2732613
3-(N-hydroxyanilino)-1-(2-propoxyphenyl)pyrrolidine-2,5-dione
CID 2859218
2-(5-chloro-2-oxo-1,3-benzoxazol-3-yl)-N-methyl-N-phenylacetamide
CID 70689087
N-(5-chloro-2-methoxyphenyl)-2-(2-morpholin-4-ylanilino)acetamide
CID 2440804
3-(Hydroxy(phenyl)amino)-1-(2-methoxyphenyl)pyrrolidine-2,5-dione
CID 3740692
1-(5-Chloro-2-methoxyphenyl)-3-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]pyrrolidine-2,5-dione
CID 4969266
1-(4-Fluorophenyl)-3-(hydroxy(2-methoxyphenyl)amino)pyrrolidine-2,5-dione
CID 662161
2-[4-(4-chlorophenyl)piperazin-1-yl]-N-(2-methoxyphenyl)acetamide
CID 3238294
5-chloro-3-(3-oxo-3-(4-phenylpiperazin-1-yl)propyl)benzo[d]oxazol-2(3H)-one
CID 8037985

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-3-[4-(2-methoxyphenyl)piperazin-1-yl]pyrrolidine-2,5-dione?
The IUPAC name of 1-(3-chlorophenyl)-3-[4-(2-methoxyphenyl)piperazin-1-yl]pyrrolidine-2,5-dione (CID 2833606) is 1-(3-chlorophenyl)-3-[4-(2-methoxyphenyl)piperazin-1-yl]pyrrolidine-2,5-dione.
What is the SMILES notation for 1-(3-chlorophenyl)-3-[4-(2-methoxyphenyl)piperazin-1-yl]pyrrolidine-2,5-dione?
The canonical SMILES for 1-(3-chlorophenyl)-3-[4-(2-methoxyphenyl)piperazin-1-yl]pyrrolidine-2,5-dione is COc1ccccc1N1CCN(C2CC(=O)N(c3cccc(Cl)c3)C2=O)CC1.
What is the InChIKey of 1-(3-chlorophenyl)-3-[4-(2-methoxyphenyl)piperazin-1-yl]pyrrolidine-2,5-dione?
The InChIKey is IVJGVNZZTSPELE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22ClN3O3/c1-28-19-8-3-2-7-17(19)23-9-11-24(12-10-23)18-14-20(26)25(21(18)27)16-6-4-5-15(22)13-16/h2-8,13,18H,9-12,14H2,1H3.
What are the key properties of 1-(3-chlorophenyl)-3-[4-(2-methoxyphenyl)piperazin-1-yl]pyrrolidine-2,5-dione?
1-(3-chlorophenyl)-3-[4-(2-methoxyphenyl)piperazin-1-yl]pyrrolidine-2,5-dione has a molecular weight of 399.88 g/mol, XLogP of 2.80, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-3-[4-(2-methoxyphenyl)piperazin-1-yl]pyrrolidine-2,5-dione is sourced from PubChem (CID 2833606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).