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

C15H18FN3O2 — CID 2839740

IUPAC3-[4-(4-fluorophenyl)piperazin-1-yl]-1-methylpyrrolidine-2,5-dione
SMILESCN1C(=O)CC(N2CCN(c3ccc(F)cc3)CC2)C1=O
InChIInChI=1S/C15H18FN3O2/c1-17-14(20)10-13(15(17)21)19-8-6-18(7-9-19)12-4-2-11(16)3-5-12/h2-5,13H,6-10H2,1H3
InChIKeyIJNXQOMREGZEBR-UHFFFAOYSA-N
MW291.33 g/mol
LogP0.70
Rot. Bonds2

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

3-[4-(4-fluorophenyl)piperazin-1-yl]-1-methylpyrrolidine-2,5-dione (PubChem CID 2839740) has the molecular formula C15H18FN3O2 and a molecular weight of 291.33 g/mol. Its IUPAC name is 3-[4-(4-fluorophenyl)piperazin-1-yl]-1-methylpyrrolidine-2,5-dione.

Molecular Properties

Compound Name3-[4-(4-fluorophenyl)piperazin-1-yl]-1-methylpyrrolidine-2,5-dione
PubChem CID2839740
Molecular FormulaC15H18FN3O2
Molecular Weight291.33 g/mol
Exact Mass291.14
IUPAC Name3-[4-(4-fluorophenyl)piperazin-1-yl]-1-methylpyrrolidine-2,5-dione
SMILESCN1C(=O)CC(N2CCN(c3ccc(F)cc3)CC2)C1=O
InChIInChI=1S/C15H18FN3O2/c1-17-14(20)10-13(15(17)21)19-8-6-18(7-9-19)12-4-2-11(16)3-5-12/h2-5,13H,6-10H2,1H3
InChIKeyIJNXQOMREGZEBR-UHFFFAOYSA-N
XLogP0.70
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.33
LogP ≤ 50.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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-(4-fluorophenyl)piperazin-1-yl]-1-methylpyrrolidine-2,5-dione?
The IUPAC name of 3-[4-(4-fluorophenyl)piperazin-1-yl]-1-methylpyrrolidine-2,5-dione (CID 2839740) is 3-[4-(4-fluorophenyl)piperazin-1-yl]-1-methylpyrrolidine-2,5-dione.
What is the SMILES notation for 3-[4-(4-fluorophenyl)piperazin-1-yl]-1-methylpyrrolidine-2,5-dione?
The canonical SMILES for 3-[4-(4-fluorophenyl)piperazin-1-yl]-1-methylpyrrolidine-2,5-dione is CN1C(=O)CC(N2CCN(c3ccc(F)cc3)CC2)C1=O.
What is the InChIKey of 3-[4-(4-fluorophenyl)piperazin-1-yl]-1-methylpyrrolidine-2,5-dione?
The InChIKey is IJNXQOMREGZEBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18FN3O2/c1-17-14(20)10-13(15(17)21)19-8-6-18(7-9-19)12-4-2-11(16)3-5-12/h2-5,13H,6-10H2,1H3.
What are the key properties of 3-[4-(4-fluorophenyl)piperazin-1-yl]-1-methylpyrrolidine-2,5-dione?
3-[4-(4-fluorophenyl)piperazin-1-yl]-1-methylpyrrolidine-2,5-dione has a molecular weight of 291.33 g/mol, XLogP of 0.70, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(4-fluorophenyl)piperazin-1-yl]-1-methylpyrrolidine-2,5-dione is sourced from PubChem (CID 2839740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).