1-(4-fluorophenyl)-3-(4-hydroxypiperidin-1-yl)pyrrolidine-2,5-dione

C15H17FN2O3 — CID 2936948

IUPAC1-(4-fluorophenyl)-3-(4-hydroxypiperidin-1-yl)pyrrolidine-2,5-dione
SMILESO=C1CC(N2CCC(O)CC2)C(=O)N1c1ccc(F)cc1
InChIInChI=1S/C15H17FN2O3/c16-10-1-3-11(4-2-10)18-14(20)9-13(15(18)21)17-7-5-12(19)6-8-17/h1-4,12-13,19H,5-9H2
InChIKeyXMWKAKUJKBKUJC-UHFFFAOYSA-N
MW292.31 g/mol
LogP0.91
Rot. Bonds2

About 1-(4-fluorophenyl)-3-(4-hydroxypiperidin-1-yl)pyrrolidine-2,5-dione

1-(4-fluorophenyl)-3-(4-hydroxypiperidin-1-yl)pyrrolidine-2,5-dione (PubChem CID 2936948) has the molecular formula C15H17FN2O3 and a molecular weight of 292.31 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-3-(4-hydroxypiperidin-1-yl)pyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-(4-fluorophenyl)-3-(4-hydroxypiperidin-1-yl)pyrrolidine-2,5-dione
PubChem CID2936948
Molecular FormulaC15H17FN2O3
Molecular Weight292.31 g/mol
Exact Mass292.12
IUPAC Name1-(4-fluorophenyl)-3-(4-hydroxypiperidin-1-yl)pyrrolidine-2,5-dione
SMILESO=C1CC(N2CCC(O)CC2)C(=O)N1c1ccc(F)cc1
InChIInChI=1S/C15H17FN2O3/c16-10-1-3-11(4-2-10)18-14(20)9-13(15(18)21)17-7-5-12(19)6-8-17/h1-4,12-13,19H,5-9H2
InChIKeyXMWKAKUJKBKUJC-UHFFFAOYSA-N
XLogP0.91
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.31
LogP ≤ 50.91
H-Bond Donors ≤ 51
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 1-(4-fluorophenyl)-3-(4-hydroxypiperidin-1-yl)pyrrolidine-2,5-dione?
The IUPAC name of 1-(4-fluorophenyl)-3-(4-hydroxypiperidin-1-yl)pyrrolidine-2,5-dione (CID 2936948) is 1-(4-fluorophenyl)-3-(4-hydroxypiperidin-1-yl)pyrrolidine-2,5-dione.
What is the SMILES notation for 1-(4-fluorophenyl)-3-(4-hydroxypiperidin-1-yl)pyrrolidine-2,5-dione?
The canonical SMILES for 1-(4-fluorophenyl)-3-(4-hydroxypiperidin-1-yl)pyrrolidine-2,5-dione is O=C1CC(N2CCC(O)CC2)C(=O)N1c1ccc(F)cc1.
What is the InChIKey of 1-(4-fluorophenyl)-3-(4-hydroxypiperidin-1-yl)pyrrolidine-2,5-dione?
The InChIKey is XMWKAKUJKBKUJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17FN2O3/c16-10-1-3-11(4-2-10)18-14(20)9-13(15(18)21)17-7-5-12(19)6-8-17/h1-4,12-13,19H,5-9H2.
What are the key properties of 1-(4-fluorophenyl)-3-(4-hydroxypiperidin-1-yl)pyrrolidine-2,5-dione?
1-(4-fluorophenyl)-3-(4-hydroxypiperidin-1-yl)pyrrolidine-2,5-dione has a molecular weight of 292.31 g/mol, XLogP of 0.91, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-3-(4-hydroxypiperidin-1-yl)pyrrolidine-2,5-dione is sourced from PubChem (CID 2936948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).