6-fluoro-2-[2-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]ethyl]-1,2-benzoxazol-3-one

C22H24F2N2O2 — CID 22068178

IUPAC6-fluoro-2-[2-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]ethyl]-1,2-benzoxazol-3-one
SMILESO=c1c2ccc(F)cc2on1CCC1CCN(CCc2ccc(F)cc2)CC1
InChIInChI=1S/C22H24F2N2O2/c23-18-3-1-16(2-4-18)7-11-25-12-8-17(9-13-25)10-14-26-22(27)20-6-5-19(24)15-21(20)28-26/h1-6,15,17H,7-14H2
InChIKeyKMCWGZZFVQTHJO-UHFFFAOYSA-N
MW386.44 g/mol
LogP4.22
Rot. Bonds6

About 6-fluoro-2-[2-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]ethyl]-1,2-benzoxazol-3-one

6-fluoro-2-[2-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]ethyl]-1,2-benzoxazol-3-one (PubChem CID 22068178) has the molecular formula C22H24F2N2O2 and a molecular weight of 386.44 g/mol. Its IUPAC name is 6-fluoro-2-[2-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]ethyl]-1,2-benzoxazol-3-one.

Molecular Properties

Compound Name6-fluoro-2-[2-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]ethyl]-1,2-benzoxazol-3-one
PubChem CID22068178
Molecular FormulaC22H24F2N2O2
Molecular Weight386.44 g/mol
Exact Mass386.18
IUPAC Name6-fluoro-2-[2-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]ethyl]-1,2-benzoxazol-3-one
SMILESO=c1c2ccc(F)cc2on1CCC1CCN(CCc2ccc(F)cc2)CC1
InChIInChI=1S/C22H24F2N2O2/c23-18-3-1-16(2-4-18)7-11-25-12-8-17(9-13-25)10-14-26-22(27)20-6-5-19(24)15-21(20)28-26/h1-6,15,17H,7-14H2
InChIKeyKMCWGZZFVQTHJO-UHFFFAOYSA-N
XLogP4.22
TPSA38.38 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.44
LogP ≤ 54.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 6-fluoro-2-[2-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]ethyl]-1,2-benzoxazol-3-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 6-fluoro-2-[2-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]ethyl]-1,2-benzoxazol-3-one?
The IUPAC name of 6-fluoro-2-[2-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]ethyl]-1,2-benzoxazol-3-one (CID 22068178) is 6-fluoro-2-[2-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]ethyl]-1,2-benzoxazol-3-one.
What is the SMILES notation for 6-fluoro-2-[2-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]ethyl]-1,2-benzoxazol-3-one?
The canonical SMILES for 6-fluoro-2-[2-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]ethyl]-1,2-benzoxazol-3-one is O=c1c2ccc(F)cc2on1CCC1CCN(CCc2ccc(F)cc2)CC1.
What is the InChIKey of 6-fluoro-2-[2-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]ethyl]-1,2-benzoxazol-3-one?
The InChIKey is KMCWGZZFVQTHJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24F2N2O2/c23-18-3-1-16(2-4-18)7-11-25-12-8-17(9-13-25)10-14-26-22(27)20-6-5-19(24)15-21(20)28-26/h1-6,15,17H,7-14H2.
What are the key properties of 6-fluoro-2-[2-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]ethyl]-1,2-benzoxazol-3-one?
6-fluoro-2-[2-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]ethyl]-1,2-benzoxazol-3-one has a molecular weight of 386.44 g/mol, XLogP of 4.22, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-2-[2-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]ethyl]-1,2-benzoxazol-3-one is sourced from PubChem (CID 22068178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).