ethyl 1-[1-(4-fluorophenyl)ethyl]-2-oxopiperidine-3-carboxylate

C16H20FNO3 — CID 58122326

IUPACethyl 1-[1-(4-fluorophenyl)ethyl]-2-oxopiperidine-3-carboxylate
SMILESCCOC(=O)C1CCCN(C(C)c2ccc(F)cc2)C1=O
InChIInChI=1S/C16H20FNO3/c1-3-21-16(20)14-5-4-10-18(15(14)19)11(2)12-6-8-13(17)9-7-12/h6-9,11,14H,3-5,10H2,1-2H3
InChIKeyIDUWLDSBNJHLSR-UHFFFAOYSA-N
MW293.34 g/mol
LogP2.69
Rot. Bonds4

About ethyl 1-[1-(4-fluorophenyl)ethyl]-2-oxopiperidine-3-carboxylate

ethyl 1-[1-(4-fluorophenyl)ethyl]-2-oxopiperidine-3-carboxylate (PubChem CID 58122326) has the molecular formula C16H20FNO3 and a molecular weight of 293.34 g/mol. Its IUPAC name is ethyl 1-[1-(4-fluorophenyl)ethyl]-2-oxopiperidine-3-carboxylate.

Molecular Properties

Compound Nameethyl 1-[1-(4-fluorophenyl)ethyl]-2-oxopiperidine-3-carboxylate
PubChem CID58122326
Molecular FormulaC16H20FNO3
Molecular Weight293.34 g/mol
Exact Mass293.14
IUPAC Nameethyl 1-[1-(4-fluorophenyl)ethyl]-2-oxopiperidine-3-carboxylate
SMILESCCOC(=O)C1CCCN(C(C)c2ccc(F)cc2)C1=O
InChIInChI=1S/C16H20FNO3/c1-3-21-16(20)14-5-4-10-18(15(14)19)11(2)12-6-8-13(17)9-7-12/h6-9,11,14H,3-5,10H2,1-2H3
InChIKeyIDUWLDSBNJHLSR-UHFFFAOYSA-N
XLogP2.69
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.34
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

Analyze ethyl 1-[1-(4-fluorophenyl)ethyl]-2-oxopiperidine-3-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of ethyl 1-[1-(4-fluorophenyl)ethyl]-2-oxopiperidine-3-carboxylate?
The IUPAC name of ethyl 1-[1-(4-fluorophenyl)ethyl]-2-oxopiperidine-3-carboxylate (CID 58122326) is ethyl 1-[1-(4-fluorophenyl)ethyl]-2-oxopiperidine-3-carboxylate.
What is the SMILES notation for ethyl 1-[1-(4-fluorophenyl)ethyl]-2-oxopiperidine-3-carboxylate?
The canonical SMILES for ethyl 1-[1-(4-fluorophenyl)ethyl]-2-oxopiperidine-3-carboxylate is CCOC(=O)C1CCCN(C(C)c2ccc(F)cc2)C1=O.
What is the InChIKey of ethyl 1-[1-(4-fluorophenyl)ethyl]-2-oxopiperidine-3-carboxylate?
The InChIKey is IDUWLDSBNJHLSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20FNO3/c1-3-21-16(20)14-5-4-10-18(15(14)19)11(2)12-6-8-13(17)9-7-12/h6-9,11,14H,3-5,10H2,1-2H3.
What are the key properties of ethyl 1-[1-(4-fluorophenyl)ethyl]-2-oxopiperidine-3-carboxylate?
ethyl 1-[1-(4-fluorophenyl)ethyl]-2-oxopiperidine-3-carboxylate has a molecular weight of 293.34 g/mol, XLogP of 2.69, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[1-(4-fluorophenyl)ethyl]-2-oxopiperidine-3-carboxylate is sourced from PubChem (CID 58122326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).