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

C20H19F2N3O2 — CID 2839714

IUPAC1-(4-fluorophenyl)-3-[4-(4-fluorophenyl)piperazin-1-yl]pyrrolidine-2,5-dione
SMILESO=C1CC(N2CCN(c3ccc(F)cc3)CC2)C(=O)N1c1ccc(F)cc1
InChIInChI=1S/C20H19F2N3O2/c21-14-1-5-16(6-2-14)23-9-11-24(12-10-23)18-13-19(26)25(20(18)27)17-7-3-15(22)4-8-17/h1-8,18H,9-13H2
InChIKeyBTQIPKUJKRCZMO-UHFFFAOYSA-N
MW371.39 g/mol
LogP2.42
Rot. Bonds3

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

1-(4-fluorophenyl)-3-[4-(4-fluorophenyl)piperazin-1-yl]pyrrolidine-2,5-dione (PubChem CID 2839714) has the molecular formula C20H19F2N3O2 and a molecular weight of 371.39 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-3-[4-(4-fluorophenyl)piperazin-1-yl]pyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-(4-fluorophenyl)-3-[4-(4-fluorophenyl)piperazin-1-yl]pyrrolidine-2,5-dione
PubChem CID2839714
Molecular FormulaC20H19F2N3O2
Molecular Weight371.39 g/mol
Exact Mass371.14
IUPAC Name1-(4-fluorophenyl)-3-[4-(4-fluorophenyl)piperazin-1-yl]pyrrolidine-2,5-dione
SMILESO=C1CC(N2CCN(c3ccc(F)cc3)CC2)C(=O)N1c1ccc(F)cc1
InChIInChI=1S/C20H19F2N3O2/c21-14-1-5-16(6-2-14)23-9-11-24(12-10-23)18-13-19(26)25(20(18)27)17-7-3-15(22)4-8-17/h1-8,18H,9-13H2
InChIKeyBTQIPKUJKRCZMO-UHFFFAOYSA-N
XLogP2.42
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.39
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-Phenyl-2-piperidinosuccinimide
CID 250855
Felipyrine
CID 71108
3-[(4-Fluorophenyl)methylamino]-1-phenylpyrrolidine-2,5-dione
CID 2877115
2-[2-(4-fluoroanilino)-2-oxoethyl]-3-oxo-N-phenyltetrahydro-1(2H)-pyrazinecarboxamide
CID 2812685
N-[1-(4-fluorophenyl)-2,5-dioxopyrrolidin-3-yl]-N-hydroxyheptanamide
CID 3719436
3-Anilino-1-phenylsuccinimide
CID 2792660
1-(m-Trifluorophenyl)piperazine, 4
CID 11292754
1-cyclohexyl-N-(3,5-difluorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 3161308
1-(2-Fluorophenyl)-3-{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}pyrrolidine-2,5-dione
CID 2867506
N-(4-fluorophenyl)-3-[4-(2-fluorophenyl)piperazin-1-yl]propanamide
CID 719590
3-[4-(4-Fluorophenyl)piperazin-1-yl]-1-phenylpyrrolidine-2,5-dione
CID 2833555
1-(4-Fluorophenyl)-3-(4-thiomorpholinyl)-2,5-pyrrolidinedione
CID 2854685

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-3-[4-(4-fluorophenyl)piperazin-1-yl]pyrrolidine-2,5-dione?
The IUPAC name of 1-(4-fluorophenyl)-3-[4-(4-fluorophenyl)piperazin-1-yl]pyrrolidine-2,5-dione (CID 2839714) is 1-(4-fluorophenyl)-3-[4-(4-fluorophenyl)piperazin-1-yl]pyrrolidine-2,5-dione.
What is the SMILES notation for 1-(4-fluorophenyl)-3-[4-(4-fluorophenyl)piperazin-1-yl]pyrrolidine-2,5-dione?
The canonical SMILES for 1-(4-fluorophenyl)-3-[4-(4-fluorophenyl)piperazin-1-yl]pyrrolidine-2,5-dione is O=C1CC(N2CCN(c3ccc(F)cc3)CC2)C(=O)N1c1ccc(F)cc1.
What is the InChIKey of 1-(4-fluorophenyl)-3-[4-(4-fluorophenyl)piperazin-1-yl]pyrrolidine-2,5-dione?
The InChIKey is BTQIPKUJKRCZMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19F2N3O2/c21-14-1-5-16(6-2-14)23-9-11-24(12-10-23)18-13-19(26)25(20(18)27)17-7-3-15(22)4-8-17/h1-8,18H,9-13H2.
What are the key properties of 1-(4-fluorophenyl)-3-[4-(4-fluorophenyl)piperazin-1-yl]pyrrolidine-2,5-dione?
1-(4-fluorophenyl)-3-[4-(4-fluorophenyl)piperazin-1-yl]pyrrolidine-2,5-dione has a molecular weight of 371.39 g/mol, XLogP of 2.42, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-3-[4-(4-fluorophenyl)piperazin-1-yl]pyrrolidine-2,5-dione is sourced from PubChem (CID 2839714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).