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

C20H19F2N3O2 — CID 171978040

IUPAC1-(4-fluorophenyl)-5-[4-(4-fluorophenyl)piperazin-1-yl]pyrrolidine-2,3-dione
SMILESO=C1CC(N2CCN(c3ccc(F)cc3)CC2)N(c2ccc(F)cc2)C1=O
InChIInChI=1S/C20H19F2N3O2/c21-14-1-5-16(6-2-14)23-9-11-24(12-10-23)19-13-18(26)20(27)25(19)17-7-3-15(22)4-8-17/h1-8,19H,9-13H2
InChIKeyDFYSYJNGDAWTNS-UHFFFAOYSA-N
MW371.39 g/mol
LogP2.42
Rot. Bonds3

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

1-(4-fluorophenyl)-5-[4-(4-fluorophenyl)piperazin-1-yl]pyrrolidine-2,3-dione (PubChem CID 171978040) has the molecular formula C20H19F2N3O2 and a molecular weight of 371.39 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-5-[4-(4-fluorophenyl)piperazin-1-yl]pyrrolidine-2,3-dione.

Molecular Properties

Compound Name1-(4-fluorophenyl)-5-[4-(4-fluorophenyl)piperazin-1-yl]pyrrolidine-2,3-dione
PubChem CID171978040
Molecular FormulaC20H19F2N3O2
Molecular Weight371.39 g/mol
Exact Mass371.14
IUPAC Name1-(4-fluorophenyl)-5-[4-(4-fluorophenyl)piperazin-1-yl]pyrrolidine-2,3-dione
SMILESO=C1CC(N2CCN(c3ccc(F)cc3)CC2)N(c2ccc(F)cc2)C1=O
InChIInChI=1S/C20H19F2N3O2/c21-14-1-5-16(6-2-14)23-9-11-24(12-10-23)19-13-18(26)20(27)25(19)17-7-3-15(22)4-8-17/h1-8,19H,9-13H2
InChIKeyDFYSYJNGDAWTNS-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': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

(3R)-1-(4-fluorophenyl)-3-(4-phenylpiperazin-1-yl)pyrrolidine-2,5-dione
CID 1035324
(3R)-3-[4-(4-fluorophenyl)piperazin-1-yl]-1-propan-2-ylpyrrolidine-2,5-dione
CID 7195453
3-(4-bromophenyl)-6-[4-(4-fluorophenyl)piperazin-1-yl]-1,3-diazinane-2,4-dione
CID 73222047
3-[4-(4-fluorophenyl)piperazin-1-yl]-1-propan-2-ylpyrrolidine-2,5-dione
CID 2991993
3-[4-(4-fluorophenyl)piperazin-1-yl]-4-morpholin-4-ylcyclobut-3-ene-1,2-dione
CID 53368386
2-[4-(4-fluorophenyl)piperazin-1-yl]cyclopropane-1-carboxylic acid
CID 117038249
1-(4-fluorophenyl)-4-sulfanylpiperazine
CID 123797629
(3S)-1-(4-fluorophenyl)-3-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]pyrrolidine-2,5-dione
CID 6960556
(3R)-3-[4-(4-fluorophenyl)piperazin-1-yl]thiolane 1,1-dioxide
CID 7304650
4-[4-(4-fluorophenyl)piperazin-1-yl]benzaldehyde
CID 28603665
1-benzyl-3-[4-(4-fluorophenyl)piperazin-1-yl]pyrrolidine-2,5-dione
CID 2988908
(3R)-3-[4-(4-fluorophenyl)piperazin-1-yl]-1-(3-methylphenyl)pyrrolidine-2,5-dione
CID 1381072

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-5-[4-(4-fluorophenyl)piperazin-1-yl]pyrrolidine-2,3-dione?
The IUPAC name of 1-(4-fluorophenyl)-5-[4-(4-fluorophenyl)piperazin-1-yl]pyrrolidine-2,3-dione (CID 171978040) is 1-(4-fluorophenyl)-5-[4-(4-fluorophenyl)piperazin-1-yl]pyrrolidine-2,3-dione.
What is the SMILES notation for 1-(4-fluorophenyl)-5-[4-(4-fluorophenyl)piperazin-1-yl]pyrrolidine-2,3-dione?
The canonical SMILES for 1-(4-fluorophenyl)-5-[4-(4-fluorophenyl)piperazin-1-yl]pyrrolidine-2,3-dione is O=C1CC(N2CCN(c3ccc(F)cc3)CC2)N(c2ccc(F)cc2)C1=O.
What is the InChIKey of 1-(4-fluorophenyl)-5-[4-(4-fluorophenyl)piperazin-1-yl]pyrrolidine-2,3-dione?
The InChIKey is DFYSYJNGDAWTNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19F2N3O2/c21-14-1-5-16(6-2-14)23-9-11-24(12-10-23)19-13-18(26)20(27)25(19)17-7-3-15(22)4-8-17/h1-8,19H,9-13H2.
What are the key properties of 1-(4-fluorophenyl)-5-[4-(4-fluorophenyl)piperazin-1-yl]pyrrolidine-2,3-dione?
1-(4-fluorophenyl)-5-[4-(4-fluorophenyl)piperazin-1-yl]pyrrolidine-2,3-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)-5-[4-(4-fluorophenyl)piperazin-1-yl]pyrrolidine-2,3-dione is sourced from PubChem (CID 171978040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).