2-(4-fluorophenyl)-1-(4-phenylpiperazin-1-yl)-2-pyridin-2-ylethanone

C23H22FN3O — CID 110373554

IUPAC2-(4-fluorophenyl)-1-(4-phenylpiperazin-1-yl)-2-pyridin-2-ylethanone
SMILESO=C(C(c1ccc(F)cc1)c1ccccn1)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C23H22FN3O/c24-19-11-9-18(10-12-19)22(21-8-4-5-13-25-21)23(28)27-16-14-26(15-17-27)20-6-2-1-3-7-20/h1-13,22H,14-17H2
InChIKeySSBYNXVBVRAOMY-UHFFFAOYSA-N
MW375.45 g/mol
LogP3.70
Rot. Bonds4

About 2-(4-fluorophenyl)-1-(4-phenylpiperazin-1-yl)-2-pyridin-2-ylethanone

2-(4-fluorophenyl)-1-(4-phenylpiperazin-1-yl)-2-pyridin-2-ylethanone (PubChem CID 110373554) has the molecular formula C23H22FN3O and a molecular weight of 375.45 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-1-(4-phenylpiperazin-1-yl)-2-pyridin-2-ylethanone.

Molecular Properties

Compound Name2-(4-fluorophenyl)-1-(4-phenylpiperazin-1-yl)-2-pyridin-2-ylethanone
PubChem CID110373554
Molecular FormulaC23H22FN3O
Molecular Weight375.45 g/mol
Exact Mass375.17
IUPAC Name2-(4-fluorophenyl)-1-(4-phenylpiperazin-1-yl)-2-pyridin-2-ylethanone
SMILESO=C(C(c1ccc(F)cc1)c1ccccn1)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C23H22FN3O/c24-19-11-9-18(10-12-19)22(21-8-4-5-13-25-21)23(28)27-16-14-26(15-17-27)20-6-2-1-3-7-20/h1-13,22H,14-17H2
InChIKeySSBYNXVBVRAOMY-UHFFFAOYSA-N
XLogP3.70
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.45
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-phenyl-2-pyridin-2-yl-1-pyrrolidin-1-ylethanone
CID 110373332
4-(2-phenyl-2-pyridin-2-ylacetyl)piperazine-1-carbaldehyde
CID 110373346
2-(4-methylphenyl)-2-pyridin-2-yl-1-pyrrolidin-1-ylethanone
CID 110373433
2,2-diphenyl-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone
CID 3636025
(2R)-1-(4-fluorophenyl)-2-phenyl-2-pyridin-2-ylethanone
CID 129396295
N-cyclopentyl-2-(4-fluorophenyl)-2-pyridin-2-ylacetamide
CID 110373528
1-[4-(4-fluorophenyl)piperazin-1-yl]-2-pyridin-2-ylethanone
CID 110696933
N-benzyl-2-(4-fluorophenyl)-N-methyl-2-pyridin-2-ylacetamide
CID 110373544
(2R)-1-(2-fluorophenyl)-2-phenyl-2-pyridin-2-ylethanone
CID 129396293
1-[4-(3,4-difluorophenyl)piperazin-1-yl]-2,2-diphenylethanone
CID 113081358
[(1R)-2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxo-1-phenylethyl] acetate
CID 7272419
[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxo-1-phenylethyl] acetate
CID 2930820

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-1-(4-phenylpiperazin-1-yl)-2-pyridin-2-ylethanone?
The IUPAC name of 2-(4-fluorophenyl)-1-(4-phenylpiperazin-1-yl)-2-pyridin-2-ylethanone (CID 110373554) is 2-(4-fluorophenyl)-1-(4-phenylpiperazin-1-yl)-2-pyridin-2-ylethanone.
What is the SMILES notation for 2-(4-fluorophenyl)-1-(4-phenylpiperazin-1-yl)-2-pyridin-2-ylethanone?
The canonical SMILES for 2-(4-fluorophenyl)-1-(4-phenylpiperazin-1-yl)-2-pyridin-2-ylethanone is O=C(C(c1ccc(F)cc1)c1ccccn1)N1CCN(c2ccccc2)CC1.
What is the InChIKey of 2-(4-fluorophenyl)-1-(4-phenylpiperazin-1-yl)-2-pyridin-2-ylethanone?
The InChIKey is SSBYNXVBVRAOMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22FN3O/c24-19-11-9-18(10-12-19)22(21-8-4-5-13-25-21)23(28)27-16-14-26(15-17-27)20-6-2-1-3-7-20/h1-13,22H,14-17H2.
What are the key properties of 2-(4-fluorophenyl)-1-(4-phenylpiperazin-1-yl)-2-pyridin-2-ylethanone?
2-(4-fluorophenyl)-1-(4-phenylpiperazin-1-yl)-2-pyridin-2-ylethanone has a molecular weight of 375.45 g/mol, XLogP of 3.70, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-1-(4-phenylpiperazin-1-yl)-2-pyridin-2-ylethanone is sourced from PubChem (CID 110373554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).