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

C23H24ClN3O3 — CID 122190143

IUPAC1-[2-[4-(4-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-3-methyl-3-phenylpyrrolidine-2,5-dione
SMILESCC1(c2ccccc2)CC(=O)N(CC(=O)N2CCN(c3ccc(Cl)cc3)CC2)C1=O
InChIInChI=1S/C23H24ClN3O3/c1-23(17-5-3-2-4-6-17)15-20(28)27(22(23)30)16-21(29)26-13-11-25(12-14-26)19-9-7-18(24)8-10-19/h2-10H,11-16H2,1H3
InChIKeyGEPQSAHBZMDGIE-UHFFFAOYSA-N
MW425.92 g/mol
LogP2.71
Rot. Bonds4

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

1-[2-[4-(4-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-3-methyl-3-phenylpyrrolidine-2,5-dione (PubChem CID 122190143) has the molecular formula C23H24ClN3O3 and a molecular weight of 425.92 g/mol. Its IUPAC name is 1-[2-[4-(4-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-3-methyl-3-phenylpyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-[2-[4-(4-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-3-methyl-3-phenylpyrrolidine-2,5-dione
PubChem CID122190143
Molecular FormulaC23H24ClN3O3
Molecular Weight425.92 g/mol
Exact Mass425.15
IUPAC Name1-[2-[4-(4-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-3-methyl-3-phenylpyrrolidine-2,5-dione
SMILESCC1(c2ccccc2)CC(=O)N(CC(=O)N2CCN(c3ccc(Cl)cc3)CC2)C1=O
InChIInChI=1S/C23H24ClN3O3/c1-23(17-5-3-2-4-6-17)15-20(28)27(22(23)30)16-21(29)26-13-11-25(12-14-26)19-9-7-18(24)8-10-19/h2-10H,11-16H2,1H3
InChIKeyGEPQSAHBZMDGIE-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'}

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[4-(4-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-3-methyl-3-phenylpyrrolidine-2,5-dione?
The IUPAC name of 1-[2-[4-(4-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-3-methyl-3-phenylpyrrolidine-2,5-dione (CID 122190143) is 1-[2-[4-(4-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-3-methyl-3-phenylpyrrolidine-2,5-dione.
What is the SMILES notation for 1-[2-[4-(4-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-3-methyl-3-phenylpyrrolidine-2,5-dione?
The canonical SMILES for 1-[2-[4-(4-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-3-methyl-3-phenylpyrrolidine-2,5-dione is CC1(c2ccccc2)CC(=O)N(CC(=O)N2CCN(c3ccc(Cl)cc3)CC2)C1=O.
What is the InChIKey of 1-[2-[4-(4-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-3-methyl-3-phenylpyrrolidine-2,5-dione?
The InChIKey is GEPQSAHBZMDGIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24ClN3O3/c1-23(17-5-3-2-4-6-17)15-20(28)27(22(23)30)16-21(29)26-13-11-25(12-14-26)19-9-7-18(24)8-10-19/h2-10H,11-16H2,1H3.
What are the key properties of 1-[2-[4-(4-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-3-methyl-3-phenylpyrrolidine-2,5-dione?
1-[2-[4-(4-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-(4-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-3-methyl-3-phenylpyrrolidine-2,5-dione is sourced from PubChem (CID 122190143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).