(E)-1-[4-(4-fluorophenyl)piperazin-1-yl]-2,3-diphenylprop-2-en-1-one

C25H23FN2O — CID 6294212

IUPAC(E)-1-[4-(4-fluorophenyl)piperazin-1-yl]-2,3-diphenylprop-2-en-1-one
SMILESO=C(/C(=C/c1ccccc1)c1ccccc1)N1CCN(c2ccc(F)cc2)CC1
InChIInChI=1S/C25H23FN2O/c26-22-11-13-23(14-12-22)27-15-17-28(18-16-27)25(29)24(21-9-5-2-6-10-21)19-20-7-3-1-4-8-20/h1-14,19H,15-18H2/b24-19+
InChIKeyTZNIQACORYPGPJ-LYBHJNIJSA-N
MW386.47 g/mol
LogP4.72
Rot. Bonds4

About (E)-1-[4-(4-fluorophenyl)piperazin-1-yl]-2,3-diphenylprop-2-en-1-one

(E)-1-[4-(4-fluorophenyl)piperazin-1-yl]-2,3-diphenylprop-2-en-1-one (PubChem CID 6294212) has the molecular formula C25H23FN2O and a molecular weight of 386.47 g/mol. Its IUPAC name is (E)-1-[4-(4-fluorophenyl)piperazin-1-yl]-2,3-diphenylprop-2-en-1-one.

Molecular Properties

Compound Name(E)-1-[4-(4-fluorophenyl)piperazin-1-yl]-2,3-diphenylprop-2-en-1-one
PubChem CID6294212
Molecular FormulaC25H23FN2O
Molecular Weight386.47 g/mol
Exact Mass386.18
IUPAC Name(E)-1-[4-(4-fluorophenyl)piperazin-1-yl]-2,3-diphenylprop-2-en-1-one
SMILESO=C(/C(=C/c1ccccc1)c1ccccc1)N1CCN(c2ccc(F)cc2)CC1
InChIInChI=1S/C25H23FN2O/c26-22-11-13-23(14-12-22)27-15-17-28(18-16-27)25(29)24(21-9-5-2-6-10-21)19-20-7-3-1-4-8-20/h1-14,19H,15-18H2/b24-19+
InChIKeyTZNIQACORYPGPJ-LYBHJNIJSA-N
XLogP4.72
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.47
LogP ≤ 54.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'stilbene', 'substructure': 'N/A'}

Analyze (E)-1-[4-(4-fluorophenyl)piperazin-1-yl]-2,3-diphenylprop-2-en-1-one with MolForge

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

Launch Full Analysis

Related Compounds

1-[4-(4-fluorophenyl)piperazin-1-yl]-2-methyl-3-phenylprop-2-en-1-one
CID 889083
(Z)-1-[4-(4-fluorophenyl)piperazin-1-yl]-2-methyl-3-phenylprop-2-en-1-one
CID 889084
(E)-2,3-diphenyl-1-piperidin-1-ylprop-2-en-1-one
CID 1208524
(Z)-2,3-diphenyl-1-piperidin-1-ylprop-2-en-1-one
CID 1208525
3-(2-chlorophenyl)-1-[4-(4-methoxyphenyl)piperazin-1-yl]-2-phenylprop-2-en-1-one
CID 1321834
1-(4-acetylpiperazin-1-yl)-2-[4-(4-fluorophenyl)piperazin-1-yl]ethane-1,2-dione
CID 108508298
[4-(4-fluorophenyl)piperazin-1-yl]-(1-phenylpiperidin-4-yl)methanone
CID 17152277
1-(3,5-dimethylpiperidin-1-yl)-2,3-diphenylprop-2-en-1-one
CID 2938637
(E)-3-(4-fluorophenyl)-1,2-diphenylprop-2-en-1-one
CID 5388476
1-(4-fluorophenyl)-4-[(E)-2-methyl-3-phenylprop-2-enyl]piperazine
CID 5333510
(3R)-1-[(Z)-2,3-diphenylprop-2-enoyl]piperidine-3-carboxylic acid
CID 92659285
(Z)-1-(4-benzylpiperidin-1-yl)-2,3-diphenylprop-2-en-1-one
CID 6372372

Frequently Asked Questions

What is the IUPAC name of (E)-1-[4-(4-fluorophenyl)piperazin-1-yl]-2,3-diphenylprop-2-en-1-one?
The IUPAC name of (E)-1-[4-(4-fluorophenyl)piperazin-1-yl]-2,3-diphenylprop-2-en-1-one (CID 6294212) is (E)-1-[4-(4-fluorophenyl)piperazin-1-yl]-2,3-diphenylprop-2-en-1-one.
What is the SMILES notation for (E)-1-[4-(4-fluorophenyl)piperazin-1-yl]-2,3-diphenylprop-2-en-1-one?
The canonical SMILES for (E)-1-[4-(4-fluorophenyl)piperazin-1-yl]-2,3-diphenylprop-2-en-1-one is O=C(/C(=C/c1ccccc1)c1ccccc1)N1CCN(c2ccc(F)cc2)CC1.
What is the InChIKey of (E)-1-[4-(4-fluorophenyl)piperazin-1-yl]-2,3-diphenylprop-2-en-1-one?
The InChIKey is TZNIQACORYPGPJ-LYBHJNIJSA-N. The full InChI is InChI=1S/C25H23FN2O/c26-22-11-13-23(14-12-22)27-15-17-28(18-16-27)25(29)24(21-9-5-2-6-10-21)19-20-7-3-1-4-8-20/h1-14,19H,15-18H2/b24-19+.
What are the key properties of (E)-1-[4-(4-fluorophenyl)piperazin-1-yl]-2,3-diphenylprop-2-en-1-one?
(E)-1-[4-(4-fluorophenyl)piperazin-1-yl]-2,3-diphenylprop-2-en-1-one has a molecular weight of 386.47 g/mol, XLogP of 4.72, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-[4-(4-fluorophenyl)piperazin-1-yl]-2,3-diphenylprop-2-en-1-one is sourced from PubChem (CID 6294212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).