3-(2-chlorophenyl)-1-[2-(dimethylamino)ethyl]-3-[2-oxo-2-(3-oxopiperazin-1-yl)ethyl]pyrrolidine-2,5-dione

C20H25ClN4O4 — CID 126464368

IUPAC3-(2-chlorophenyl)-1-[2-(dimethylamino)ethyl]-3-[2-oxo-2-(3-oxopiperazin-1-yl)ethyl]pyrrolidine-2,5-dione
SMILESCN(C)CCN1C(=O)CC(CC(=O)N2CCNC(=O)C2)(c2ccccc2Cl)C1=O
InChIInChI=1S/C20H25ClN4O4/c1-23(2)9-10-25-18(28)12-20(19(25)29,14-5-3-4-6-15(14)21)11-17(27)24-8-7-22-16(26)13-24/h3-6H,7-13H2,1-2H3,(H,22,26)
InChIKeyNGMCGWRAJMRMLG-UHFFFAOYSA-N
MW420.90 g/mol
LogP0.25
Rot. Bonds6

About 3-(2-chlorophenyl)-1-[2-(dimethylamino)ethyl]-3-[2-oxo-2-(3-oxopiperazin-1-yl)ethyl]pyrrolidine-2,5-dione

3-(2-chlorophenyl)-1-[2-(dimethylamino)ethyl]-3-[2-oxo-2-(3-oxopiperazin-1-yl)ethyl]pyrrolidine-2,5-dione (PubChem CID 126464368) has the molecular formula C20H25ClN4O4 and a molecular weight of 420.90 g/mol. Its IUPAC name is 3-(2-chlorophenyl)-1-[2-(dimethylamino)ethyl]-3-[2-oxo-2-(3-oxopiperazin-1-yl)ethyl]pyrrolidine-2,5-dione.

Molecular Properties

Compound Name3-(2-chlorophenyl)-1-[2-(dimethylamino)ethyl]-3-[2-oxo-2-(3-oxopiperazin-1-yl)ethyl]pyrrolidine-2,5-dione
PubChem CID126464368
Molecular FormulaC20H25ClN4O4
Molecular Weight420.90 g/mol
Exact Mass420.16
IUPAC Name3-(2-chlorophenyl)-1-[2-(dimethylamino)ethyl]-3-[2-oxo-2-(3-oxopiperazin-1-yl)ethyl]pyrrolidine-2,5-dione
SMILESCN(C)CCN1C(=O)CC(CC(=O)N2CCNC(=O)C2)(c2ccccc2Cl)C1=O
InChIInChI=1S/C20H25ClN4O4/c1-23(2)9-10-25-18(28)12-20(19(25)29,14-5-3-4-6-15(14)21)11-17(27)24-8-7-22-16(26)13-24/h3-6H,7-13H2,1-2H3,(H,22,26)
InChIKeyNGMCGWRAJMRMLG-UHFFFAOYSA-N
XLogP0.25
TPSA90.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.90
LogP ≤ 50.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(2-chlorophenyl)-1-[2-(dimethylamino)ethyl]-3-[2-oxo-2-(3-oxopiperazin-1-yl)ethyl]pyrrolidine-2,5-dione?
The IUPAC name of 3-(2-chlorophenyl)-1-[2-(dimethylamino)ethyl]-3-[2-oxo-2-(3-oxopiperazin-1-yl)ethyl]pyrrolidine-2,5-dione (CID 126464368) is 3-(2-chlorophenyl)-1-[2-(dimethylamino)ethyl]-3-[2-oxo-2-(3-oxopiperazin-1-yl)ethyl]pyrrolidine-2,5-dione.
What is the SMILES notation for 3-(2-chlorophenyl)-1-[2-(dimethylamino)ethyl]-3-[2-oxo-2-(3-oxopiperazin-1-yl)ethyl]pyrrolidine-2,5-dione?
The canonical SMILES for 3-(2-chlorophenyl)-1-[2-(dimethylamino)ethyl]-3-[2-oxo-2-(3-oxopiperazin-1-yl)ethyl]pyrrolidine-2,5-dione is CN(C)CCN1C(=O)CC(CC(=O)N2CCNC(=O)C2)(c2ccccc2Cl)C1=O.
What is the InChIKey of 3-(2-chlorophenyl)-1-[2-(dimethylamino)ethyl]-3-[2-oxo-2-(3-oxopiperazin-1-yl)ethyl]pyrrolidine-2,5-dione?
The InChIKey is NGMCGWRAJMRMLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25ClN4O4/c1-23(2)9-10-25-18(28)12-20(19(25)29,14-5-3-4-6-15(14)21)11-17(27)24-8-7-22-16(26)13-24/h3-6H,7-13H2,1-2H3,(H,22,26).
What are the key properties of 3-(2-chlorophenyl)-1-[2-(dimethylamino)ethyl]-3-[2-oxo-2-(3-oxopiperazin-1-yl)ethyl]pyrrolidine-2,5-dione?
3-(2-chlorophenyl)-1-[2-(dimethylamino)ethyl]-3-[2-oxo-2-(3-oxopiperazin-1-yl)ethyl]pyrrolidine-2,5-dione has a molecular weight of 420.90 g/mol, XLogP of 0.25, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chlorophenyl)-1-[2-(dimethylamino)ethyl]-3-[2-oxo-2-(3-oxopiperazin-1-yl)ethyl]pyrrolidine-2,5-dione is sourced from PubChem (CID 126464368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).