4-(4-fluorophenyl)-3-propylpiperidine-2,6-dione

C14H16FNO2 — CID 79320357

IUPAC4-(4-fluorophenyl)-3-propylpiperidine-2,6-dione
SMILESCCCC1C(=O)NC(=O)CC1c1ccc(F)cc1
InChIInChI=1S/C14H16FNO2/c1-2-3-11-12(8-13(17)16-14(11)18)9-4-6-10(15)7-5-9/h4-7,11-12H,2-3,8H2,1H3,(H,16,17,18)
InChIKeyKFUZYGBJVFHQLP-UHFFFAOYSA-N
MW249.28 g/mol
LogP2.37
Rot. Bonds3

About 4-(4-fluorophenyl)-3-propylpiperidine-2,6-dione

4-(4-fluorophenyl)-3-propylpiperidine-2,6-dione (PubChem CID 79320357) has the molecular formula C14H16FNO2 and a molecular weight of 249.28 g/mol. Its IUPAC name is 4-(4-fluorophenyl)-3-propylpiperidine-2,6-dione.

Molecular Properties

Compound Name4-(4-fluorophenyl)-3-propylpiperidine-2,6-dione
PubChem CID79320357
Molecular FormulaC14H16FNO2
Molecular Weight249.28 g/mol
Exact Mass249.12
IUPAC Name4-(4-fluorophenyl)-3-propylpiperidine-2,6-dione
SMILESCCCC1C(=O)NC(=O)CC1c1ccc(F)cc1
InChIInChI=1S/C14H16FNO2/c1-2-3-11-12(8-13(17)16-14(11)18)9-4-6-10(15)7-5-9/h4-7,11-12H,2-3,8H2,1H3,(H,16,17,18)
InChIKeyKFUZYGBJVFHQLP-UHFFFAOYSA-N
XLogP2.37
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.28
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(4-fluorophenyl)-3-propylpiperidine-2,6-dione?
The IUPAC name of 4-(4-fluorophenyl)-3-propylpiperidine-2,6-dione (CID 79320357) is 4-(4-fluorophenyl)-3-propylpiperidine-2,6-dione.
What is the SMILES notation for 4-(4-fluorophenyl)-3-propylpiperidine-2,6-dione?
The canonical SMILES for 4-(4-fluorophenyl)-3-propylpiperidine-2,6-dione is CCCC1C(=O)NC(=O)CC1c1ccc(F)cc1.
What is the InChIKey of 4-(4-fluorophenyl)-3-propylpiperidine-2,6-dione?
The InChIKey is KFUZYGBJVFHQLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FNO2/c1-2-3-11-12(8-13(17)16-14(11)18)9-4-6-10(15)7-5-9/h4-7,11-12H,2-3,8H2,1H3,(H,16,17,18).
What are the key properties of 4-(4-fluorophenyl)-3-propylpiperidine-2,6-dione?
4-(4-fluorophenyl)-3-propylpiperidine-2,6-dione has a molecular weight of 249.28 g/mol, XLogP of 2.37, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluorophenyl)-3-propylpiperidine-2,6-dione is sourced from PubChem (CID 79320357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).