1-[3-fluoro-4-[4-(2-phenylacetyl)piperazin-1-yl]phenyl]propan-1-one

C21H23FN2O2 — CID 1290001

IUPAC1-[3-fluoro-4-[4-(2-phenylacetyl)piperazin-1-yl]phenyl]propan-1-one
SMILESCCC(=O)c1ccc(N2CCN(C(=O)Cc3ccccc3)CC2)c(F)c1
InChIInChI=1S/C21H23FN2O2/c1-2-20(25)17-8-9-19(18(22)15-17)23-10-12-24(13-11-23)21(26)14-16-6-4-3-5-7-16/h3-9,15H,2,10-14H2,1H3
InChIKeyWZIHESKQJGLETB-UHFFFAOYSA-N
MW354.43 g/mol
LogP3.31
Rot. Bonds5

About 1-[3-fluoro-4-[4-(2-phenylacetyl)piperazin-1-yl]phenyl]propan-1-one

1-[3-fluoro-4-[4-(2-phenylacetyl)piperazin-1-yl]phenyl]propan-1-one (PubChem CID 1290001) has the molecular formula C21H23FN2O2 and a molecular weight of 354.43 g/mol. Its IUPAC name is 1-[3-fluoro-4-[4-(2-phenylacetyl)piperazin-1-yl]phenyl]propan-1-one.

Molecular Properties

Compound Name1-[3-fluoro-4-[4-(2-phenylacetyl)piperazin-1-yl]phenyl]propan-1-one
PubChem CID1290001
Molecular FormulaC21H23FN2O2
Molecular Weight354.43 g/mol
Exact Mass354.17
IUPAC Name1-[3-fluoro-4-[4-(2-phenylacetyl)piperazin-1-yl]phenyl]propan-1-one
SMILESCCC(=O)c1ccc(N2CCN(C(=O)Cc3ccccc3)CC2)c(F)c1
InChIInChI=1S/C21H23FN2O2/c1-2-20(25)17-8-9-19(18(22)15-17)23-10-12-24(13-11-23)21(26)14-16-6-4-3-5-7-16/h3-9,15H,2,10-14H2,1H3
InChIKeyWZIHESKQJGLETB-UHFFFAOYSA-N
XLogP3.31
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.43
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-[3-fluoro-4-[4-(2-phenylacetyl)piperazin-1-yl]phenyl]propan-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

N-Acetylprocainamide
CID 4342
4,4'-Bis(dimethylamino)benzophenone
CID 7031
Balicatib
CID 10201696
N-Methylspiroperidol
CID 119146
Acecainide Hydrochloride
CID 71417
4,4'-Bis(diethylamino)benzophenone
CID 66663
2-Benzyl-2-(dimethylamino)-1-(4-(morpholin-4-yl)phenyl)butan-1-one
CID 86171
4-Dimethylaminochalcone
CID 5377268
Benzoylbenzyl fentanyl
CID 10044685
1-[3-Fluoro-4-(piperidin-1-yl)phenyl]ethan-1-one
CID 775592
4-(4-Methylpiperazin-1-yl)benzaldehyde
CID 736533
N-(4-acetylphenyl)-2-(pyrrolidin-1-yl)acetamide
CID 930524

Frequently Asked Questions

What is the IUPAC name of 1-[3-fluoro-4-[4-(2-phenylacetyl)piperazin-1-yl]phenyl]propan-1-one?
The IUPAC name of 1-[3-fluoro-4-[4-(2-phenylacetyl)piperazin-1-yl]phenyl]propan-1-one (CID 1290001) is 1-[3-fluoro-4-[4-(2-phenylacetyl)piperazin-1-yl]phenyl]propan-1-one.
What is the SMILES notation for 1-[3-fluoro-4-[4-(2-phenylacetyl)piperazin-1-yl]phenyl]propan-1-one?
The canonical SMILES for 1-[3-fluoro-4-[4-(2-phenylacetyl)piperazin-1-yl]phenyl]propan-1-one is CCC(=O)c1ccc(N2CCN(C(=O)Cc3ccccc3)CC2)c(F)c1.
What is the InChIKey of 1-[3-fluoro-4-[4-(2-phenylacetyl)piperazin-1-yl]phenyl]propan-1-one?
The InChIKey is WZIHESKQJGLETB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23FN2O2/c1-2-20(25)17-8-9-19(18(22)15-17)23-10-12-24(13-11-23)21(26)14-16-6-4-3-5-7-16/h3-9,15H,2,10-14H2,1H3.
What are the key properties of 1-[3-fluoro-4-[4-(2-phenylacetyl)piperazin-1-yl]phenyl]propan-1-one?
1-[3-fluoro-4-[4-(2-phenylacetyl)piperazin-1-yl]phenyl]propan-1-one has a molecular weight of 354.43 g/mol, XLogP of 3.31, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-fluoro-4-[4-(2-phenylacetyl)piperazin-1-yl]phenyl]propan-1-one is sourced from PubChem (CID 1290001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).