5-[4-(4-fluorophenyl)piperazine-1-carbonyl]-2-prop-2-enylisoindole-1,3-dione

C22H20FN3O3 — CID 9207226

IUPAC5-[4-(4-fluorophenyl)piperazine-1-carbonyl]-2-prop-2-enylisoindole-1,3-dione
SMILESC=CCN1C(=O)c2ccc(C(=O)N3CCN(c4ccc(F)cc4)CC3)cc2C1=O
InChIInChI=1S/C22H20FN3O3/c1-2-9-26-21(28)18-8-3-15(14-19(18)22(26)29)20(27)25-12-10-24(11-13-25)17-6-4-16(23)5-7-17/h2-8,14H,1,9-13H2
InChIKeyYQMPZMWTFBXEFY-UHFFFAOYSA-N
MW393.42 g/mol
LogP2.57
Rot. Bonds4

About 5-[4-(4-fluorophenyl)piperazine-1-carbonyl]-2-prop-2-enylisoindole-1,3-dione

5-[4-(4-fluorophenyl)piperazine-1-carbonyl]-2-prop-2-enylisoindole-1,3-dione (PubChem CID 9207226) has the molecular formula C22H20FN3O3 and a molecular weight of 393.42 g/mol. Its IUPAC name is 5-[4-(4-fluorophenyl)piperazine-1-carbonyl]-2-prop-2-enylisoindole-1,3-dione.

Molecular Properties

Compound Name5-[4-(4-fluorophenyl)piperazine-1-carbonyl]-2-prop-2-enylisoindole-1,3-dione
PubChem CID9207226
Molecular FormulaC22H20FN3O3
Molecular Weight393.42 g/mol
Exact Mass393.15
IUPAC Name5-[4-(4-fluorophenyl)piperazine-1-carbonyl]-2-prop-2-enylisoindole-1,3-dione
SMILESC=CCN1C(=O)c2ccc(C(=O)N3CCN(c4ccc(F)cc4)CC3)cc2C1=O
InChIInChI=1S/C22H20FN3O3/c1-2-9-26-21(28)18-8-3-15(14-19(18)22(26)29)20(27)25-12-10-24(11-13-25)17-6-4-16(23)5-7-17/h2-8,14H,1,9-13H2
InChIKeyYQMPZMWTFBXEFY-UHFFFAOYSA-N
XLogP2.57
TPSA60.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.42
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 5-[4-(4-fluorophenyl)piperazine-1-carbonyl]-2-prop-2-enylisoindole-1,3-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-prop-2-enyl-5-(4-pyridin-1-ium-4-ylpiperazine-1-carbonyl)isoindole-1,3-dione
CID 9254897
N-(4-fluorophenyl)-1,3-dioxo-2-prop-2-enylisoindole-5-carboxamide
CID 4825553
5-bromo-2-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl]isoindole-1,3-dione
CID 110839302
(3,4-dimethylphenyl)-[4-(4-fluorophenyl)piperazin-1-yl]methanone
CID 669359
2-prop-2-enyl-5-[4-(thiophen-3-ylmethyl)piperazin-4-ium-1-carbonyl]isoindole-1,3-dione
CID 9181394
5-[4-(4-fluorobenzoyl)piperazine-1-carbonyl]-2-propan-2-ylisoindole-1,3-dione
CID 108533723
2-(4-fluorophenyl)-5-[4-(6-methylpyrimidin-4-yl)piperazine-1-carbonyl]isoindole-1,3-dione
CID 108731775
[3-[4-(4-fluorophenyl)piperazine-1-carbonyl]phenyl]-pyrrolidin-1-ylmethanone
CID 109051662
[4-(4-aminophenyl)piperazin-1-yl]-(4-fluorophenyl)methanone
CID 9161600
[4-(4-chlorophenyl)piperazin-1-yl]-(4-fluorophenyl)methanone
CID 873857
[2-(azepan-1-yl)-4-pyridinyl]-[4-(4-fluorophenyl)piperazin-1-yl]methanone
CID 109173653
[4-(4-fluorophenyl)piperazin-1-yl]-[3-(4-hydroxyphenyl)phenyl]methanone
CID 2106289

Frequently Asked Questions

What is the IUPAC name of 5-[4-(4-fluorophenyl)piperazine-1-carbonyl]-2-prop-2-enylisoindole-1,3-dione?
The IUPAC name of 5-[4-(4-fluorophenyl)piperazine-1-carbonyl]-2-prop-2-enylisoindole-1,3-dione (CID 9207226) is 5-[4-(4-fluorophenyl)piperazine-1-carbonyl]-2-prop-2-enylisoindole-1,3-dione.
What is the SMILES notation for 5-[4-(4-fluorophenyl)piperazine-1-carbonyl]-2-prop-2-enylisoindole-1,3-dione?
The canonical SMILES for 5-[4-(4-fluorophenyl)piperazine-1-carbonyl]-2-prop-2-enylisoindole-1,3-dione is C=CCN1C(=O)c2ccc(C(=O)N3CCN(c4ccc(F)cc4)CC3)cc2C1=O.
What is the InChIKey of 5-[4-(4-fluorophenyl)piperazine-1-carbonyl]-2-prop-2-enylisoindole-1,3-dione?
The InChIKey is YQMPZMWTFBXEFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20FN3O3/c1-2-9-26-21(28)18-8-3-15(14-19(18)22(26)29)20(27)25-12-10-24(11-13-25)17-6-4-16(23)5-7-17/h2-8,14H,1,9-13H2.
What are the key properties of 5-[4-(4-fluorophenyl)piperazine-1-carbonyl]-2-prop-2-enylisoindole-1,3-dione?
5-[4-(4-fluorophenyl)piperazine-1-carbonyl]-2-prop-2-enylisoindole-1,3-dione has a molecular weight of 393.42 g/mol, XLogP of 2.57, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(4-fluorophenyl)piperazine-1-carbonyl]-2-prop-2-enylisoindole-1,3-dione is sourced from PubChem (CID 9207226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).