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

C21H23ClN4O2 — CID 2999949

IUPAC1-(4-chlorophenyl)-3-[4-(2-pyridin-2-ylethyl)piperazin-1-yl]pyrrolidine-2,5-dione
SMILESO=C1CC(N2CCN(CCc3ccccn3)CC2)C(=O)N1c1ccc(Cl)cc1
InChIInChI=1S/C21H23ClN4O2/c22-16-4-6-18(7-5-16)26-20(27)15-19(21(26)28)25-13-11-24(12-14-25)10-8-17-3-1-2-9-23-17/h1-7,9,19H,8,10-15H2
InChIKeyUXQBNVPQIQWIAU-UHFFFAOYSA-N
MW398.89 g/mol
LogP2.23
Rot. Bonds5

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

1-(4-chlorophenyl)-3-[4-(2-pyridin-2-ylethyl)piperazin-1-yl]pyrrolidine-2,5-dione (PubChem CID 2999949) has the molecular formula C21H23ClN4O2 and a molecular weight of 398.89 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-3-[4-(2-pyridin-2-ylethyl)piperazin-1-yl]pyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-(4-chlorophenyl)-3-[4-(2-pyridin-2-ylethyl)piperazin-1-yl]pyrrolidine-2,5-dione
PubChem CID2999949
Molecular FormulaC21H23ClN4O2
Molecular Weight398.89 g/mol
Exact Mass398.15
IUPAC Name1-(4-chlorophenyl)-3-[4-(2-pyridin-2-ylethyl)piperazin-1-yl]pyrrolidine-2,5-dione
SMILESO=C1CC(N2CCN(CCc3ccccn3)CC2)C(=O)N1c1ccc(Cl)cc1
InChIInChI=1S/C21H23ClN4O2/c22-16-4-6-18(7-5-16)26-20(27)15-19(21(26)28)25-13-11-24(12-14-25)10-8-17-3-1-2-9-23-17/h1-7,9,19H,8,10-15H2
InChIKeyUXQBNVPQIQWIAU-UHFFFAOYSA-N
XLogP2.23
TPSA56.75 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.89
LogP ≤ 52.23
H-Bond Donors ≤ 50
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 1-(4-chlorophenyl)-3-[4-(2-pyridin-2-ylethyl)piperazin-1-yl]pyrrolidine-2,5-dione?
The IUPAC name of 1-(4-chlorophenyl)-3-[4-(2-pyridin-2-ylethyl)piperazin-1-yl]pyrrolidine-2,5-dione (CID 2999949) is 1-(4-chlorophenyl)-3-[4-(2-pyridin-2-ylethyl)piperazin-1-yl]pyrrolidine-2,5-dione.
What is the SMILES notation for 1-(4-chlorophenyl)-3-[4-(2-pyridin-2-ylethyl)piperazin-1-yl]pyrrolidine-2,5-dione?
The canonical SMILES for 1-(4-chlorophenyl)-3-[4-(2-pyridin-2-ylethyl)piperazin-1-yl]pyrrolidine-2,5-dione is O=C1CC(N2CCN(CCc3ccccn3)CC2)C(=O)N1c1ccc(Cl)cc1.
What is the InChIKey of 1-(4-chlorophenyl)-3-[4-(2-pyridin-2-ylethyl)piperazin-1-yl]pyrrolidine-2,5-dione?
The InChIKey is UXQBNVPQIQWIAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23ClN4O2/c22-16-4-6-18(7-5-16)26-20(27)15-19(21(26)28)25-13-11-24(12-14-25)10-8-17-3-1-2-9-23-17/h1-7,9,19H,8,10-15H2.
What are the key properties of 1-(4-chlorophenyl)-3-[4-(2-pyridin-2-ylethyl)piperazin-1-yl]pyrrolidine-2,5-dione?
1-(4-chlorophenyl)-3-[4-(2-pyridin-2-ylethyl)piperazin-1-yl]pyrrolidine-2,5-dione has a molecular weight of 398.89 g/mol, XLogP of 2.23, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-3-[4-(2-pyridin-2-ylethyl)piperazin-1-yl]pyrrolidine-2,5-dione is sourced from PubChem (CID 2999949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).