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

C20H26ClN3O3 — CID 56661673

IUPAC1-[2-[4-(4-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-3,3-diethylpyrrolidine-2,5-dione
SMILESCCC1(CC)CC(=O)N(CC(=O)N2CCN(c3ccc(Cl)cc3)CC2)C1=O
InChIInChI=1S/C20H26ClN3O3/c1-3-20(4-2)13-17(25)24(19(20)27)14-18(26)23-11-9-22(10-12-23)16-7-5-15(21)6-8-16/h5-8H,3-4,9-14H2,1-2H3
InChIKeyLCTJGGVHPNFWGV-UHFFFAOYSA-N
MW391.90 g/mol
LogP2.55
Rot. Bonds5

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

1-[2-[4-(4-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-3,3-diethylpyrrolidine-2,5-dione (PubChem CID 56661673) has the molecular formula C20H26ClN3O3 and a molecular weight of 391.90 g/mol. Its IUPAC name is 1-[2-[4-(4-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-3,3-diethylpyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-[2-[4-(4-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-3,3-diethylpyrrolidine-2,5-dione
PubChem CID56661673
Molecular FormulaC20H26ClN3O3
Molecular Weight391.90 g/mol
Exact Mass391.17
IUPAC Name1-[2-[4-(4-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-3,3-diethylpyrrolidine-2,5-dione
SMILESCCC1(CC)CC(=O)N(CC(=O)N2CCN(c3ccc(Cl)cc3)CC2)C1=O
InChIInChI=1S/C20H26ClN3O3/c1-3-20(4-2)13-17(25)24(19(20)27)14-18(26)23-11-9-22(10-12-23)16-7-5-15(21)6-8-16/h5-8H,3-4,9-14H2,1-2H3
InChIKeyLCTJGGVHPNFWGV-UHFFFAOYSA-N
XLogP2.55
TPSA60.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.90
LogP ≤ 52.55
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]-3,3-diethylpyrrolidine-2,5-dione?
The IUPAC name of 1-[2-[4-(4-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-3,3-diethylpyrrolidine-2,5-dione (CID 56661673) is 1-[2-[4-(4-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-3,3-diethylpyrrolidine-2,5-dione.
What is the SMILES notation for 1-[2-[4-(4-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-3,3-diethylpyrrolidine-2,5-dione?
The canonical SMILES for 1-[2-[4-(4-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-3,3-diethylpyrrolidine-2,5-dione is CCC1(CC)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]-3,3-diethylpyrrolidine-2,5-dione?
The InChIKey is LCTJGGVHPNFWGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26ClN3O3/c1-3-20(4-2)13-17(25)24(19(20)27)14-18(26)23-11-9-22(10-12-23)16-7-5-15(21)6-8-16/h5-8H,3-4,9-14H2,1-2H3.
What are the key properties of 1-[2-[4-(4-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-3,3-diethylpyrrolidine-2,5-dione?
1-[2-[4-(4-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-3,3-diethylpyrrolidine-2,5-dione has a molecular weight of 391.90 g/mol, XLogP of 2.55, 5 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]-3,3-diethylpyrrolidine-2,5-dione is sourced from PubChem (CID 56661673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).