[2-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]-2-oxo-1-phenylethyl] acetate

C22H24FNO3 — CID 46086780

IUPAC[2-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]-2-oxo-1-phenylethyl] acetate
SMILESCC(=O)OC(C(=O)N1CCC(Cc2ccc(F)cc2)CC1)c1ccccc1
InChIInChI=1S/C22H24FNO3/c1-16(25)27-21(19-5-3-2-4-6-19)22(26)24-13-11-18(12-14-24)15-17-7-9-20(23)10-8-17/h2-10,18,21H,11-15H2,1H3
InChIKeyKAPIAXPGEDGRTI-UHFFFAOYSA-N
MW369.44 g/mol
LogP3.91
Rot. Bonds5

About [2-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]-2-oxo-1-phenylethyl] acetate

[2-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]-2-oxo-1-phenylethyl] acetate (PubChem CID 46086780) has the molecular formula C22H24FNO3 and a molecular weight of 369.44 g/mol. Its IUPAC name is [2-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]-2-oxo-1-phenylethyl] acetate.

Molecular Properties

Compound Name[2-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]-2-oxo-1-phenylethyl] acetate
PubChem CID46086780
Molecular FormulaC22H24FNO3
Molecular Weight369.44 g/mol
Exact Mass369.17
IUPAC Name[2-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]-2-oxo-1-phenylethyl] acetate
SMILESCC(=O)OC(C(=O)N1CCC(Cc2ccc(F)cc2)CC1)c1ccccc1
InChIInChI=1S/C22H24FNO3/c1-16(25)27-21(19-5-3-2-4-6-19)22(26)24-13-11-18(12-14-24)15-17-7-9-20(23)10-8-17/h2-10,18,21H,11-15H2,1H3
InChIKeyKAPIAXPGEDGRTI-UHFFFAOYSA-N
XLogP3.91
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.44
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze [2-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]-2-oxo-1-phenylethyl] acetate 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 [2-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]-2-oxo-1-phenylethyl] acetate?
The IUPAC name of [2-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]-2-oxo-1-phenylethyl] acetate (CID 46086780) is [2-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]-2-oxo-1-phenylethyl] acetate.
What is the SMILES notation for [2-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]-2-oxo-1-phenylethyl] acetate?
The canonical SMILES for [2-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]-2-oxo-1-phenylethyl] acetate is CC(=O)OC(C(=O)N1CCC(Cc2ccc(F)cc2)CC1)c1ccccc1.
What is the InChIKey of [2-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]-2-oxo-1-phenylethyl] acetate?
The InChIKey is KAPIAXPGEDGRTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24FNO3/c1-16(25)27-21(19-5-3-2-4-6-19)22(26)24-13-11-18(12-14-24)15-17-7-9-20(23)10-8-17/h2-10,18,21H,11-15H2,1H3.
What are the key properties of [2-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]-2-oxo-1-phenylethyl] acetate?
[2-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]-2-oxo-1-phenylethyl] acetate has a molecular weight of 369.44 g/mol, XLogP of 3.91, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]-2-oxo-1-phenylethyl] acetate is sourced from PubChem (CID 46086780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).