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

C20H21FN2O3 — CID 2932443

IUPAC[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxo-1-phenylethyl] acetate
SMILESCC(=O)OC(C(=O)N1CCN(c2ccccc2F)CC1)c1ccccc1
InChIInChI=1S/C20H21FN2O3/c1-15(24)26-19(16-7-3-2-4-8-16)20(25)23-13-11-22(12-14-23)18-10-6-5-9-17(18)21/h2-10,19H,11-14H2,1H3
InChIKeyNHSSJNVMAAOQIR-UHFFFAOYSA-N
MW356.40 g/mol
LogP2.78
Rot. Bonds4

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

[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxo-1-phenylethyl] acetate (PubChem CID 2932443) has the molecular formula C20H21FN2O3 and a molecular weight of 356.40 g/mol. Its IUPAC name is [2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxo-1-phenylethyl] acetate.

Molecular Properties

Compound Name[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxo-1-phenylethyl] acetate
PubChem CID2932443
Molecular FormulaC20H21FN2O3
Molecular Weight356.40 g/mol
Exact Mass356.15
IUPAC Name[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxo-1-phenylethyl] acetate
SMILESCC(=O)OC(C(=O)N1CCN(c2ccccc2F)CC1)c1ccccc1
InChIInChI=1S/C20H21FN2O3/c1-15(24)26-19(16-7-3-2-4-8-16)20(25)23-13-11-22(12-14-23)18-10-6-5-9-17(18)21/h2-10,19H,11-14H2,1H3
InChIKeyNHSSJNVMAAOQIR-UHFFFAOYSA-N
XLogP2.78
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.40
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze [2-[4-(2-fluorophenyl)piperazin-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-(2-fluorophenyl)piperazin-1-yl]-2-oxo-1-phenylethyl] acetate?
The IUPAC name of [2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxo-1-phenylethyl] acetate (CID 2932443) is [2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxo-1-phenylethyl] acetate.
What is the SMILES notation for [2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxo-1-phenylethyl] acetate?
The canonical SMILES for [2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxo-1-phenylethyl] acetate is CC(=O)OC(C(=O)N1CCN(c2ccccc2F)CC1)c1ccccc1.
What is the InChIKey of [2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxo-1-phenylethyl] acetate?
The InChIKey is NHSSJNVMAAOQIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21FN2O3/c1-15(24)26-19(16-7-3-2-4-8-16)20(25)23-13-11-22(12-14-23)18-10-6-5-9-17(18)21/h2-10,19H,11-14H2,1H3.
What are the key properties of [2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxo-1-phenylethyl] acetate?
[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxo-1-phenylethyl] acetate has a molecular weight of 356.40 g/mol, XLogP of 2.78, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxo-1-phenylethyl] acetate is sourced from PubChem (CID 2932443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).