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

C17H18FN3O — CID 110696933

IUPAC1-[4-(4-fluorophenyl)piperazin-1-yl]-2-pyridin-2-ylethanone
SMILESO=C(Cc1ccccn1)N1CCN(c2ccc(F)cc2)CC1
InChIInChI=1S/C17H18FN3O/c18-14-4-6-16(7-5-14)20-9-11-21(12-10-20)17(22)13-15-3-1-2-8-19-15/h1-8H,9-13H2
InChIKeyZPLWZPAFXLCOMA-UHFFFAOYSA-N
MW299.35 g/mol
LogP2.11
Rot. Bonds3

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

1-[4-(4-fluorophenyl)piperazin-1-yl]-2-pyridin-2-ylethanone (PubChem CID 110696933) 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-2-ylethanone.

Molecular Properties

Compound Name1-[4-(4-fluorophenyl)piperazin-1-yl]-2-pyridin-2-ylethanone
PubChem CID110696933
Molecular FormulaC17H18FN3O
Molecular Weight299.35 g/mol
Exact Mass299.14
IUPAC Name1-[4-(4-fluorophenyl)piperazin-1-yl]-2-pyridin-2-ylethanone
SMILESO=C(Cc1ccccn1)N1CCN(c2ccc(F)cc2)CC1
InChIInChI=1S/C17H18FN3O/c18-14-4-6-16(7-5-14)20-9-11-21(12-10-20)17(22)13-15-3-1-2-8-19-15/h1-8H,9-13H2
InChIKeyZPLWZPAFXLCOMA-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-chlorophenyl)piperazin-1-yl]-2-pyridin-2-ylethanone
CID 143237953
2-pyridin-2-yl-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone
CID 110696951
1-[4-(4-fluorophenyl)piperazin-1-yl]-2-pyridin-4-ylethanone
CID 110697261
1-[4-(4-fluorophenyl)piperazin-1-yl]-2-(1,2-oxazol-3-yl)ethanone
CID 110853293
1-[4-(4-fluorophenyl)piperazin-1-yl]-2-(4-methyl-2-pyridin-2-yl-1,3-thiazol-5-yl)ethanone
CID 110328952
1-(3,4-dihydroxypyrrolidin-1-yl)-2-pyridin-2-ylethanone
CID 106671158
4-(4-fluorophenyl)-N-[(2S)-1-oxo-1-(pyridin-2-ylmethylamino)propan-2-yl]piperazine-1-carboxamide
CID 52897953
4-(4-fluorophenyl)-N-[(2R)-1-oxo-1-(pyridin-2-ylmethylamino)propan-2-yl]piperazine-1-carboxamide
CID 95395325
1-[4-(4-fluorophenyl)piperazin-1-yl]propan-1-one
CID 3659016
1-[4-(4-fluorophenyl)piperazin-1-yl]-2-(4-hydroxyphenyl)ethanone
CID 78804359
4-(4-fluorophenyl)-N'-[3-oxo-3-(4-pyridin-2-ylpiperazin-1-yl)propyl]piperazine-1-carboximidamide
CID 111092220
2-pyridin-2-yl-1-(4-pyrido[2,3-b]pyrazin-6-ylpiperazin-1-yl)ethanone
CID 84589531

Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-fluorophenyl)piperazin-1-yl]-2-pyridin-2-ylethanone?
The IUPAC name of 1-[4-(4-fluorophenyl)piperazin-1-yl]-2-pyridin-2-ylethanone (CID 110696933) is 1-[4-(4-fluorophenyl)piperazin-1-yl]-2-pyridin-2-ylethanone.
What is the SMILES notation for 1-[4-(4-fluorophenyl)piperazin-1-yl]-2-pyridin-2-ylethanone?
The canonical SMILES for 1-[4-(4-fluorophenyl)piperazin-1-yl]-2-pyridin-2-ylethanone is O=C(Cc1ccccn1)N1CCN(c2ccc(F)cc2)CC1.
What is the InChIKey of 1-[4-(4-fluorophenyl)piperazin-1-yl]-2-pyridin-2-ylethanone?
The InChIKey is ZPLWZPAFXLCOMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FN3O/c18-14-4-6-16(7-5-14)20-9-11-21(12-10-20)17(22)13-15-3-1-2-8-19-15/h1-8H,9-13H2.
What are the key properties of 1-[4-(4-fluorophenyl)piperazin-1-yl]-2-pyridin-2-ylethanone?
1-[4-(4-fluorophenyl)piperazin-1-yl]-2-pyridin-2-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-2-ylethanone is sourced from PubChem (CID 110696933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).