4-ethyl-1-[2-(4-fluorophenyl)ethyl]-2,6-dioxopiperidine-3-carbonitrile

C16H17FN2O2 — CID 22350240

IUPAC4-ethyl-1-[2-(4-fluorophenyl)ethyl]-2,6-dioxopiperidine-3-carbonitrile
SMILESCCC1CC(=O)N(CCc2ccc(F)cc2)C(=O)C1C#N
InChIInChI=1S/C16H17FN2O2/c1-2-12-9-15(20)19(16(21)14(12)10-18)8-7-11-3-5-13(17)6-4-11/h3-6,12,14H,2,7-9H2,1H3
InChIKeyTXBZTOARKDQQAG-UHFFFAOYSA-N
MW288.32 g/mol
LogP2.29
Rot. Bonds4

About 4-ethyl-1-[2-(4-fluorophenyl)ethyl]-2,6-dioxopiperidine-3-carbonitrile

4-ethyl-1-[2-(4-fluorophenyl)ethyl]-2,6-dioxopiperidine-3-carbonitrile (PubChem CID 22350240) has the molecular formula C16H17FN2O2 and a molecular weight of 288.32 g/mol. Its IUPAC name is 4-ethyl-1-[2-(4-fluorophenyl)ethyl]-2,6-dioxopiperidine-3-carbonitrile.

Molecular Properties

Compound Name4-ethyl-1-[2-(4-fluorophenyl)ethyl]-2,6-dioxopiperidine-3-carbonitrile
PubChem CID22350240
Molecular FormulaC16H17FN2O2
Molecular Weight288.32 g/mol
Exact Mass288.13
IUPAC Name4-ethyl-1-[2-(4-fluorophenyl)ethyl]-2,6-dioxopiperidine-3-carbonitrile
SMILESCCC1CC(=O)N(CCc2ccc(F)cc2)C(=O)C1C#N
InChIInChI=1S/C16H17FN2O2/c1-2-12-9-15(20)19(16(21)14(12)10-18)8-7-11-3-5-13(17)6-4-11/h3-6,12,14H,2,7-9H2,1H3
InChIKeyTXBZTOARKDQQAG-UHFFFAOYSA-N
XLogP2.29
TPSA61.17 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.32
LogP ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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-ethyl-1-[2-(4-fluorophenyl)ethyl]-2,6-dioxopiperidine-3-carbonitrile?
The IUPAC name of 4-ethyl-1-[2-(4-fluorophenyl)ethyl]-2,6-dioxopiperidine-3-carbonitrile (CID 22350240) is 4-ethyl-1-[2-(4-fluorophenyl)ethyl]-2,6-dioxopiperidine-3-carbonitrile.
What is the SMILES notation for 4-ethyl-1-[2-(4-fluorophenyl)ethyl]-2,6-dioxopiperidine-3-carbonitrile?
The canonical SMILES for 4-ethyl-1-[2-(4-fluorophenyl)ethyl]-2,6-dioxopiperidine-3-carbonitrile is CCC1CC(=O)N(CCc2ccc(F)cc2)C(=O)C1C#N.
What is the InChIKey of 4-ethyl-1-[2-(4-fluorophenyl)ethyl]-2,6-dioxopiperidine-3-carbonitrile?
The InChIKey is TXBZTOARKDQQAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17FN2O2/c1-2-12-9-15(20)19(16(21)14(12)10-18)8-7-11-3-5-13(17)6-4-11/h3-6,12,14H,2,7-9H2,1H3.
What are the key properties of 4-ethyl-1-[2-(4-fluorophenyl)ethyl]-2,6-dioxopiperidine-3-carbonitrile?
4-ethyl-1-[2-(4-fluorophenyl)ethyl]-2,6-dioxopiperidine-3-carbonitrile has a molecular weight of 288.32 g/mol, XLogP of 2.29, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-1-[2-(4-fluorophenyl)ethyl]-2,6-dioxopiperidine-3-carbonitrile is sourced from PubChem (CID 22350240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).