3-ethyl-1-[1-(2-fluoroethyl)piperidin-4-yl]pyridin-2-one

C14H21FN2O — CID 156737838

IUPAC3-ethyl-1-[1-(2-fluoroethyl)piperidin-4-yl]pyridin-2-one
SMILESCCc1cccn(C2CCN(CCF)CC2)c1=O
InChIInChI=1S/C14H21FN2O/c1-2-12-4-3-8-17(14(12)18)13-5-9-16(10-6-13)11-7-15/h3-4,8,13H,2,5-7,9-11H2,1H3
InChIKeyKPXIQIADXKTEKR-UHFFFAOYSA-N
MW252.33 g/mol
LogP2.02
Rot. Bonds4

About 3-ethyl-1-[1-(2-fluoroethyl)piperidin-4-yl]pyridin-2-one

3-ethyl-1-[1-(2-fluoroethyl)piperidin-4-yl]pyridin-2-one (PubChem CID 156737838) has the molecular formula C14H21FN2O and a molecular weight of 252.33 g/mol. Its IUPAC name is 3-ethyl-1-[1-(2-fluoroethyl)piperidin-4-yl]pyridin-2-one.

Molecular Properties

Compound Name3-ethyl-1-[1-(2-fluoroethyl)piperidin-4-yl]pyridin-2-one
PubChem CID156737838
Molecular FormulaC14H21FN2O
Molecular Weight252.33 g/mol
Exact Mass252.16
IUPAC Name3-ethyl-1-[1-(2-fluoroethyl)piperidin-4-yl]pyridin-2-one
SMILESCCc1cccn(C2CCN(CCF)CC2)c1=O
InChIInChI=1S/C14H21FN2O/c1-2-12-4-3-8-17(14(12)18)13-5-9-16(10-6-13)11-7-15/h3-4,8,13H,2,5-7,9-11H2,1H3
InChIKeyKPXIQIADXKTEKR-UHFFFAOYSA-N
XLogP2.02
TPSA25.24 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.33
LogP ≤ 52.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 3-ethyl-1-[1-(2-fluoroethyl)piperidin-4-yl]pyridin-2-one 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 3-ethyl-1-[1-(2-fluoroethyl)piperidin-4-yl]pyridin-2-one?
The IUPAC name of 3-ethyl-1-[1-(2-fluoroethyl)piperidin-4-yl]pyridin-2-one (CID 156737838) is 3-ethyl-1-[1-(2-fluoroethyl)piperidin-4-yl]pyridin-2-one.
What is the SMILES notation for 3-ethyl-1-[1-(2-fluoroethyl)piperidin-4-yl]pyridin-2-one?
The canonical SMILES for 3-ethyl-1-[1-(2-fluoroethyl)piperidin-4-yl]pyridin-2-one is CCc1cccn(C2CCN(CCF)CC2)c1=O.
What is the InChIKey of 3-ethyl-1-[1-(2-fluoroethyl)piperidin-4-yl]pyridin-2-one?
The InChIKey is KPXIQIADXKTEKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21FN2O/c1-2-12-4-3-8-17(14(12)18)13-5-9-16(10-6-13)11-7-15/h3-4,8,13H,2,5-7,9-11H2,1H3.
What are the key properties of 3-ethyl-1-[1-(2-fluoroethyl)piperidin-4-yl]pyridin-2-one?
3-ethyl-1-[1-(2-fluoroethyl)piperidin-4-yl]pyridin-2-one has a molecular weight of 252.33 g/mol, XLogP of 2.02, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1-[1-(2-fluoroethyl)piperidin-4-yl]pyridin-2-one is sourced from PubChem (CID 156737838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).