1-(4-chlorophenyl)-3-(4-pyridin-2-ylpiperazin-1-yl)pyrrolidine-2,5-dione

C19H19ClN4O2 — CID 2840866

IUPAC1-(4-chlorophenyl)-3-(4-pyridin-2-ylpiperazin-1-yl)pyrrolidine-2,5-dione
SMILESO=C1CC(N2CCN(c3ccccn3)CC2)C(=O)N1c1ccc(Cl)cc1
InChIInChI=1S/C19H19ClN4O2/c20-14-4-6-15(7-5-14)24-18(25)13-16(19(24)26)22-9-11-23(12-10-22)17-3-1-2-8-21-17/h1-8,16H,9-13H2
InChIKeyWCYWKYHHFCKPME-UHFFFAOYSA-N
MW370.84 g/mol
LogP2.19
Rot. Bonds3

About 1-(4-chlorophenyl)-3-(4-pyridin-2-ylpiperazin-1-yl)pyrrolidine-2,5-dione

1-(4-chlorophenyl)-3-(4-pyridin-2-ylpiperazin-1-yl)pyrrolidine-2,5-dione (PubChem CID 2840866) has the molecular formula C19H19ClN4O2 and a molecular weight of 370.84 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-3-(4-pyridin-2-ylpiperazin-1-yl)pyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-(4-chlorophenyl)-3-(4-pyridin-2-ylpiperazin-1-yl)pyrrolidine-2,5-dione
PubChem CID2840866
Molecular FormulaC19H19ClN4O2
Molecular Weight370.84 g/mol
Exact Mass370.12
IUPAC Name1-(4-chlorophenyl)-3-(4-pyridin-2-ylpiperazin-1-yl)pyrrolidine-2,5-dione
SMILESO=C1CC(N2CCN(c3ccccn3)CC2)C(=O)N1c1ccc(Cl)cc1
InChIInChI=1S/C19H19ClN4O2/c20-14-4-6-15(7-5-14)24-18(25)13-16(19(24)26)22-9-11-23(12-10-22)17-3-1-2-8-21-17/h1-8,16H,9-13H2
InChIKeyWCYWKYHHFCKPME-UHFFFAOYSA-N
XLogP2.19
TPSA56.75 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.84
LogP ≤ 52.19
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-pyridin-2-ylpiperazin-1-yl)pyrrolidine-2,5-dione?
The IUPAC name of 1-(4-chlorophenyl)-3-(4-pyridin-2-ylpiperazin-1-yl)pyrrolidine-2,5-dione (CID 2840866) is 1-(4-chlorophenyl)-3-(4-pyridin-2-ylpiperazin-1-yl)pyrrolidine-2,5-dione.
What is the SMILES notation for 1-(4-chlorophenyl)-3-(4-pyridin-2-ylpiperazin-1-yl)pyrrolidine-2,5-dione?
The canonical SMILES for 1-(4-chlorophenyl)-3-(4-pyridin-2-ylpiperazin-1-yl)pyrrolidine-2,5-dione is O=C1CC(N2CCN(c3ccccn3)CC2)C(=O)N1c1ccc(Cl)cc1.
What is the InChIKey of 1-(4-chlorophenyl)-3-(4-pyridin-2-ylpiperazin-1-yl)pyrrolidine-2,5-dione?
The InChIKey is WCYWKYHHFCKPME-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClN4O2/c20-14-4-6-15(7-5-14)24-18(25)13-16(19(24)26)22-9-11-23(12-10-22)17-3-1-2-8-21-17/h1-8,16H,9-13H2.
What are the key properties of 1-(4-chlorophenyl)-3-(4-pyridin-2-ylpiperazin-1-yl)pyrrolidine-2,5-dione?
1-(4-chlorophenyl)-3-(4-pyridin-2-ylpiperazin-1-yl)pyrrolidine-2,5-dione has a molecular weight of 370.84 g/mol, XLogP of 2.19, 3 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-pyridin-2-ylpiperazin-1-yl)pyrrolidine-2,5-dione is sourced from PubChem (CID 2840866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).