1-[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-3-methyl-3-phenylpyrrolidine-2,5-dione

C23H24ClN3O3 — CID 122190142

IUPAC1-[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-3-methyl-3-phenylpyrrolidine-2,5-dione
SMILESCC1(c2ccccc2)CC(=O)N(CC(=O)N2CCN(c3cccc(Cl)c3)CC2)C1=O
InChIInChI=1S/C23H24ClN3O3/c1-23(17-6-3-2-4-7-17)15-20(28)27(22(23)30)16-21(29)26-12-10-25(11-13-26)19-9-5-8-18(24)14-19/h2-9,14H,10-13,15-16H2,1H3
InChIKeyCXCPAGXXMATBFX-UHFFFAOYSA-N
MW425.92 g/mol
LogP2.71
Rot. Bonds4

About 1-[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-3-methyl-3-phenylpyrrolidine-2,5-dione

1-[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-3-methyl-3-phenylpyrrolidine-2,5-dione (PubChem CID 122190142) has the molecular formula C23H24ClN3O3 and a molecular weight of 425.92 g/mol. Its IUPAC name is 1-[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-3-methyl-3-phenylpyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-3-methyl-3-phenylpyrrolidine-2,5-dione
PubChem CID122190142
Molecular FormulaC23H24ClN3O3
Molecular Weight425.92 g/mol
Exact Mass425.15
IUPAC Name1-[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-3-methyl-3-phenylpyrrolidine-2,5-dione
SMILESCC1(c2ccccc2)CC(=O)N(CC(=O)N2CCN(c3cccc(Cl)c3)CC2)C1=O
InChIInChI=1S/C23H24ClN3O3/c1-23(17-6-3-2-4-7-17)15-20(28)27(22(23)30)16-21(29)26-12-10-25(11-13-26)19-9-5-8-18(24)14-19/h2-9,14H,10-13,15-16H2,1H3
InChIKeyCXCPAGXXMATBFX-UHFFFAOYSA-N
XLogP2.71
TPSA60.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.92
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 1-[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-3-methyl-3-phenylpyrrolidine-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

3-[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-5-methyl-5-(4-methylphenyl)imidazolidine-2,4-dione
CID 43001987
3-[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-5-methyl-5-[3-(trifluoromethyl)phenyl]imidazolidine-2,4-dione
CID 46484743
3-[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-1,3-diazaspiro[4.5]decane-2,4,8-trione
CID 75392176
[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl] 2-(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)acetate
CID 55400582
1-[4-(3-chlorophenyl)piperazin-1-yl]-2-methylsulfanylethanone
CID 134059598
1-[4-(3-chlorophenyl)piperazin-1-yl]-2-(3-methyl-5-phenyl-1,2,4-triazol-1-yl)ethanone
CID 56528726
1-(4-acetylpiperazin-1-yl)-3-[4-(3-chlorophenyl)piperazin-1-yl]propane-1,3-dione
CID 108944892
4-[4-(3-chlorophenyl)piperazin-1-yl]-4-oxobutanoic acid
CID 851796
(5S,6R)-3-[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-6-methyl-1,3-diazaspiro[4.5]decane-2,4-dione
CID 9146026
1-[4-(benzenesulfonyl)piperazin-1-yl]-2-[4-(3-chlorophenyl)piperazin-1-yl]ethanone
CID 2595436
3,3-dimethyl-1-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]indol-2-one
CID 58834365
4-[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl]morpholin-3-one
CID 136538299

Frequently Asked Questions

What is the IUPAC name of 1-[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-3-methyl-3-phenylpyrrolidine-2,5-dione?
The IUPAC name of 1-[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-3-methyl-3-phenylpyrrolidine-2,5-dione (CID 122190142) is 1-[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-3-methyl-3-phenylpyrrolidine-2,5-dione.
What is the SMILES notation for 1-[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-3-methyl-3-phenylpyrrolidine-2,5-dione?
The canonical SMILES for 1-[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-3-methyl-3-phenylpyrrolidine-2,5-dione is CC1(c2ccccc2)CC(=O)N(CC(=O)N2CCN(c3cccc(Cl)c3)CC2)C1=O.
What is the InChIKey of 1-[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-3-methyl-3-phenylpyrrolidine-2,5-dione?
The InChIKey is CXCPAGXXMATBFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24ClN3O3/c1-23(17-6-3-2-4-7-17)15-20(28)27(22(23)30)16-21(29)26-12-10-25(11-13-26)19-9-5-8-18(24)14-19/h2-9,14H,10-13,15-16H2,1H3.
What are the key properties of 1-[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-3-methyl-3-phenylpyrrolidine-2,5-dione?
1-[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-3-methyl-3-phenylpyrrolidine-2,5-dione has a molecular weight of 425.92 g/mol, XLogP of 2.71, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-3-methyl-3-phenylpyrrolidine-2,5-dione is sourced from PubChem (CID 122190142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).