3-(4-fluorophenyl)-4-[4-(2-hydroxyethyl)piperazin-1-yl]-1-propan-2-ylpyrrole-2,5-dione

C19H24FN3O3 — CID 110544529

IUPAC3-(4-fluorophenyl)-4-[4-(2-hydroxyethyl)piperazin-1-yl]-1-propan-2-ylpyrrole-2,5-dione
SMILESCC(C)N1C(=O)C(c2ccc(F)cc2)=C(N2CCN(CCO)CC2)C1=O
InChIInChI=1S/C19H24FN3O3/c1-13(2)23-18(25)16(14-3-5-15(20)6-4-14)17(19(23)26)22-9-7-21(8-10-22)11-12-24/h3-6,13,24H,7-12H2,1-2H3
InChIKeyGBIDNRIKTIUIHS-UHFFFAOYSA-N
MW361.42 g/mol
LogP0.92
Rot. Bonds5

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

3-(4-fluorophenyl)-4-[4-(2-hydroxyethyl)piperazin-1-yl]-1-propan-2-ylpyrrole-2,5-dione (PubChem CID 110544529) has the molecular formula C19H24FN3O3 and a molecular weight of 361.42 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-4-[4-(2-hydroxyethyl)piperazin-1-yl]-1-propan-2-ylpyrrole-2,5-dione.

Molecular Properties

Compound Name3-(4-fluorophenyl)-4-[4-(2-hydroxyethyl)piperazin-1-yl]-1-propan-2-ylpyrrole-2,5-dione
PubChem CID110544529
Molecular FormulaC19H24FN3O3
Molecular Weight361.42 g/mol
Exact Mass361.18
IUPAC Name3-(4-fluorophenyl)-4-[4-(2-hydroxyethyl)piperazin-1-yl]-1-propan-2-ylpyrrole-2,5-dione
SMILESCC(C)N1C(=O)C(c2ccc(F)cc2)=C(N2CCN(CCO)CC2)C1=O
InChIInChI=1S/C19H24FN3O3/c1-13(2)23-18(25)16(14-3-5-15(20)6-4-14)17(19(23)26)22-9-7-21(8-10-22)11-12-24/h3-6,13,24H,7-12H2,1-2H3
InChIKeyGBIDNRIKTIUIHS-UHFFFAOYSA-N
XLogP0.92
TPSA64.09 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.42
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-(4-fluorophenyl)-1-[(4-fluorophenyl)methyl]-4-[4-(2-hydroxyethyl)piperazin-1-yl]pyrrole-2,5-dione
CID 110544103
3-(4-fluorophenyl)-4-[4-(3-methylphenyl)piperazin-1-yl]-1-propan-2-ylpyrrole-2,5-dione
CID 110544525
3-(4-fluorophenyl)-4-[4-(2-methoxyphenyl)piperazin-1-yl]-1-propan-2-ylpyrrole-2,5-dione
CID 110544530
1-[2-(4-chlorophenyl)ethyl]-3-(4-fluorophenyl)-4-[4-(2-hydroxyethyl)piperazin-1-yl]pyrrole-2,5-dione
CID 110543154
1-(3-chlorophenyl)-3-(4-fluorophenyl)-4-[4-(2-hydroxyethyl)piperazin-1-yl]pyrrole-2,5-dione
CID 110545241
1-(2-ethoxyphenyl)-3-(4-fluorophenyl)-4-[4-(2-hydroxyethyl)piperazin-1-yl]pyrrole-2,5-dione
CID 110544708
1-(5-chloro-2-methylphenyl)-3-(4-fluorophenyl)-4-[4-(2-hydroxyethyl)piperazin-1-yl]pyrrole-2,5-dione
CID 110544835
1-(3-fluorophenyl)-3-[4-(2-hydroxyethyl)piperazin-1-yl]-4-(4-propan-2-yloxyphenyl)pyrrole-2,5-dione
CID 110575731
3-(4-benzylpiperazin-1-yl)-4-(4-chlorophenyl)-1-propan-2-ylpyrrole-2,5-dione
CID 110570303
3-(4-chlorophenyl)-4-piperidin-1-yl-1-propan-2-ylpyrrole-2,5-dione
CID 110570292
1-(2,5-difluorophenyl)-3-[4-(2-hydroxyethyl)piperazin-1-yl]-4-(4-nitrophenyl)pyrrole-2,5-dione
CID 110542826
1-(2,5-dimethylphenyl)-3-[4-(2-hydroxyethyl)piperazin-1-yl]-4-(4-methylphenyl)pyrrole-2,5-dione
CID 110573785

Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-4-[4-(2-hydroxyethyl)piperazin-1-yl]-1-propan-2-ylpyrrole-2,5-dione?
The IUPAC name of 3-(4-fluorophenyl)-4-[4-(2-hydroxyethyl)piperazin-1-yl]-1-propan-2-ylpyrrole-2,5-dione (CID 110544529) is 3-(4-fluorophenyl)-4-[4-(2-hydroxyethyl)piperazin-1-yl]-1-propan-2-ylpyrrole-2,5-dione.
What is the SMILES notation for 3-(4-fluorophenyl)-4-[4-(2-hydroxyethyl)piperazin-1-yl]-1-propan-2-ylpyrrole-2,5-dione?
The canonical SMILES for 3-(4-fluorophenyl)-4-[4-(2-hydroxyethyl)piperazin-1-yl]-1-propan-2-ylpyrrole-2,5-dione is CC(C)N1C(=O)C(c2ccc(F)cc2)=C(N2CCN(CCO)CC2)C1=O.
What is the InChIKey of 3-(4-fluorophenyl)-4-[4-(2-hydroxyethyl)piperazin-1-yl]-1-propan-2-ylpyrrole-2,5-dione?
The InChIKey is GBIDNRIKTIUIHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24FN3O3/c1-13(2)23-18(25)16(14-3-5-15(20)6-4-14)17(19(23)26)22-9-7-21(8-10-22)11-12-24/h3-6,13,24H,7-12H2,1-2H3.
What are the key properties of 3-(4-fluorophenyl)-4-[4-(2-hydroxyethyl)piperazin-1-yl]-1-propan-2-ylpyrrole-2,5-dione?
3-(4-fluorophenyl)-4-[4-(2-hydroxyethyl)piperazin-1-yl]-1-propan-2-ylpyrrole-2,5-dione has a molecular weight of 361.42 g/mol, XLogP of 0.92, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-4-[4-(2-hydroxyethyl)piperazin-1-yl]-1-propan-2-ylpyrrole-2,5-dione is sourced from PubChem (CID 110544529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).