1-[4-(4-fluorophenyl)piperazin-1-yl]-2-pyridin-4-ylethanone

C17H18FN3O — CID 110697261

IUPAC1-[4-(4-fluorophenyl)piperazin-1-yl]-2-pyridin-4-ylethanone
SMILESO=C(Cc1ccncc1)N1CCN(c2ccc(F)cc2)CC1
InChIInChI=1S/C17H18FN3O/c18-15-1-3-16(4-2-15)20-9-11-21(12-10-20)17(22)13-14-5-7-19-8-6-14/h1-8H,9-13H2
InChIKeyNGGDVHQEMAITKX-UHFFFAOYSA-N
MW299.35 g/mol
LogP2.11
Rot. Bonds3

About 1-[4-(4-fluorophenyl)piperazin-1-yl]-2-pyridin-4-ylethanone

1-[4-(4-fluorophenyl)piperazin-1-yl]-2-pyridin-4-ylethanone (PubChem CID 110697261) has the molecular formula C17H18FN3O and a molecular weight of 299.35 g/mol. Its IUPAC name is 1-[4-(4-fluorophenyl)piperazin-1-yl]-2-pyridin-4-ylethanone.

Molecular Properties

Compound Name1-[4-(4-fluorophenyl)piperazin-1-yl]-2-pyridin-4-ylethanone
PubChem CID110697261
Molecular FormulaC17H18FN3O
Molecular Weight299.35 g/mol
Exact Mass299.14
IUPAC Name1-[4-(4-fluorophenyl)piperazin-1-yl]-2-pyridin-4-ylethanone
SMILESO=C(Cc1ccncc1)N1CCN(c2ccc(F)cc2)CC1
InChIInChI=1S/C17H18FN3O/c18-15-1-3-16(4-2-15)20-9-11-21(12-10-20)17(22)13-14-5-7-19-8-6-14/h1-8H,9-13H2
InChIKeyNGGDVHQEMAITKX-UHFFFAOYSA-N
XLogP2.11
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.35
LogP ≤ 52.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-(4-fluorophenyl)piperazin-1-yl]-2-(4-hydroxyphenyl)ethanone
CID 78804359
1-(4-phenyl-1,4-diazepan-1-yl)-2-pyridin-4-ylethanone
CID 91781163
N-[4-[4-[2-(4-fluorophenyl)acetyl]piperazin-1-yl]phenyl]acetamide
CID 5041262
1-[4-(4-fluorophenyl)piperazin-1-yl]-2-pyridin-2-ylethanone
CID 110696933
1-[4-(3,4-dimethylphenyl)piperazin-1-yl]-2-(4-fluorophenyl)ethanone
CID 113075520
2-(4-fluorophenyl)-1-[4-(4-propan-2-yloxyphenyl)piperazin-1-yl]ethanone
CID 113077726
1-[4-[2-oxo-2-(4-pyridin-4-ylpiperazin-1-yl)ethyl]phenyl]pyrrolidin-2-one
CID 9255742
1-[4-(4-fluorophenyl)piperazin-1-yl]propan-1-one
CID 3659016
2-(4-fluorophenyl)-1-[4-[2-(4-fluorophenyl)acetyl]-1,4-diazepan-1-yl]ethanone
CID 110798689
1-[4-(4-fluorophenyl)piperazin-1-yl]-2-(1,2-oxazol-3-yl)ethanone
CID 110853293
1-[(4-fluorophenyl)methyl]-4-(2-pyridin-4-ylacetyl)piperazin-2-one
CID 90649312
2-(4-fluorophenyl)-1-[4-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]piperazin-1-yl]ethanone
CID 37404624

Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-fluorophenyl)piperazin-1-yl]-2-pyridin-4-ylethanone?
The IUPAC name of 1-[4-(4-fluorophenyl)piperazin-1-yl]-2-pyridin-4-ylethanone (CID 110697261) is 1-[4-(4-fluorophenyl)piperazin-1-yl]-2-pyridin-4-ylethanone.
What is the SMILES notation for 1-[4-(4-fluorophenyl)piperazin-1-yl]-2-pyridin-4-ylethanone?
The canonical SMILES for 1-[4-(4-fluorophenyl)piperazin-1-yl]-2-pyridin-4-ylethanone is O=C(Cc1ccncc1)N1CCN(c2ccc(F)cc2)CC1.
What is the InChIKey of 1-[4-(4-fluorophenyl)piperazin-1-yl]-2-pyridin-4-ylethanone?
The InChIKey is NGGDVHQEMAITKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FN3O/c18-15-1-3-16(4-2-15)20-9-11-21(12-10-20)17(22)13-14-5-7-19-8-6-14/h1-8H,9-13H2.
What are the key properties of 1-[4-(4-fluorophenyl)piperazin-1-yl]-2-pyridin-4-ylethanone?
1-[4-(4-fluorophenyl)piperazin-1-yl]-2-pyridin-4-ylethanone has a molecular weight of 299.35 g/mol, XLogP of 2.11, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-fluorophenyl)piperazin-1-yl]-2-pyridin-4-ylethanone is sourced from PubChem (CID 110697261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).