3-[4-(2-fluorophenyl)piperazin-1-yl]-1-(4-methoxyphenyl)pyrrolidine-2,5-dione

C21H22FN3O3 — CID 2859028

IUPAC3-[4-(2-fluorophenyl)piperazin-1-yl]-1-(4-methoxyphenyl)pyrrolidine-2,5-dione
SMILESCOc1ccc(N2C(=O)CC(N3CCN(c4ccccc4F)CC3)C2=O)cc1
InChIInChI=1S/C21H22FN3O3/c1-28-16-8-6-15(7-9-16)25-20(26)14-19(21(25)27)24-12-10-23(11-13-24)18-5-3-2-4-17(18)22/h2-9,19H,10-14H2,1H3
InChIKeyOVYZMTOCHPAMSK-UHFFFAOYSA-N
MW383.42 g/mol
LogP2.29
Rot. Bonds4

About 3-[4-(2-fluorophenyl)piperazin-1-yl]-1-(4-methoxyphenyl)pyrrolidine-2,5-dione

3-[4-(2-fluorophenyl)piperazin-1-yl]-1-(4-methoxyphenyl)pyrrolidine-2,5-dione (PubChem CID 2859028) has the molecular formula C21H22FN3O3 and a molecular weight of 383.42 g/mol. Its IUPAC name is 3-[4-(2-fluorophenyl)piperazin-1-yl]-1-(4-methoxyphenyl)pyrrolidine-2,5-dione.

Molecular Properties

Compound Name3-[4-(2-fluorophenyl)piperazin-1-yl]-1-(4-methoxyphenyl)pyrrolidine-2,5-dione
PubChem CID2859028
Molecular FormulaC21H22FN3O3
Molecular Weight383.42 g/mol
Exact Mass383.16
IUPAC Name3-[4-(2-fluorophenyl)piperazin-1-yl]-1-(4-methoxyphenyl)pyrrolidine-2,5-dione
SMILESCOc1ccc(N2C(=O)CC(N3CCN(c4ccccc4F)CC3)C2=O)cc1
InChIInChI=1S/C21H22FN3O3/c1-28-16-8-6-15(7-9-16)25-20(26)14-19(21(25)27)24-12-10-23(11-13-24)18-5-3-2-4-17(18)22/h2-9,19H,10-14H2,1H3
InChIKeyOVYZMTOCHPAMSK-UHFFFAOYSA-N
XLogP2.29
TPSA53.09 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.42
LogP ≤ 52.29
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 3-[4-(2-fluorophenyl)piperazin-1-yl]-1-(4-methoxyphenyl)pyrrolidine-2,5-dione?
The IUPAC name of 3-[4-(2-fluorophenyl)piperazin-1-yl]-1-(4-methoxyphenyl)pyrrolidine-2,5-dione (CID 2859028) is 3-[4-(2-fluorophenyl)piperazin-1-yl]-1-(4-methoxyphenyl)pyrrolidine-2,5-dione.
What is the SMILES notation for 3-[4-(2-fluorophenyl)piperazin-1-yl]-1-(4-methoxyphenyl)pyrrolidine-2,5-dione?
The canonical SMILES for 3-[4-(2-fluorophenyl)piperazin-1-yl]-1-(4-methoxyphenyl)pyrrolidine-2,5-dione is COc1ccc(N2C(=O)CC(N3CCN(c4ccccc4F)CC3)C2=O)cc1.
What is the InChIKey of 3-[4-(2-fluorophenyl)piperazin-1-yl]-1-(4-methoxyphenyl)pyrrolidine-2,5-dione?
The InChIKey is OVYZMTOCHPAMSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22FN3O3/c1-28-16-8-6-15(7-9-16)25-20(26)14-19(21(25)27)24-12-10-23(11-13-24)18-5-3-2-4-17(18)22/h2-9,19H,10-14H2,1H3.
What are the key properties of 3-[4-(2-fluorophenyl)piperazin-1-yl]-1-(4-methoxyphenyl)pyrrolidine-2,5-dione?
3-[4-(2-fluorophenyl)piperazin-1-yl]-1-(4-methoxyphenyl)pyrrolidine-2,5-dione has a molecular weight of 383.42 g/mol, XLogP of 2.29, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(2-fluorophenyl)piperazin-1-yl]-1-(4-methoxyphenyl)pyrrolidine-2,5-dione is sourced from PubChem (CID 2859028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).