2-(5-amino-2-pyridinyl)-1-[4-(2-fluorophenyl)piperazin-1-yl]ethanone

C17H19FN4O — CID 120639325

IUPAC2-(5-amino-2-pyridinyl)-1-[4-(2-fluorophenyl)piperazin-1-yl]ethanone
SMILESNc1ccc(CC(=O)N2CCN(c3ccccc3F)CC2)nc1
InChIInChI=1S/C17H19FN4O/c18-15-3-1-2-4-16(15)21-7-9-22(10-8-21)17(23)11-14-6-5-13(19)12-20-14/h1-6,12H,7-11,19H2
InChIKeyFPPJXHCYLAONJD-UHFFFAOYSA-N
MW314.36 g/mol
LogP1.69
Rot. Bonds3

About 2-(5-amino-2-pyridinyl)-1-[4-(2-fluorophenyl)piperazin-1-yl]ethanone

2-(5-amino-2-pyridinyl)-1-[4-(2-fluorophenyl)piperazin-1-yl]ethanone (PubChem CID 120639325) has the molecular formula C17H19FN4O and a molecular weight of 314.36 g/mol. Its IUPAC name is 2-(5-amino-2-pyridinyl)-1-[4-(2-fluorophenyl)piperazin-1-yl]ethanone.

Molecular Properties

Compound Name2-(5-amino-2-pyridinyl)-1-[4-(2-fluorophenyl)piperazin-1-yl]ethanone
PubChem CID120639325
Molecular FormulaC17H19FN4O
Molecular Weight314.36 g/mol
Exact Mass314.15
IUPAC Name2-(5-amino-2-pyridinyl)-1-[4-(2-fluorophenyl)piperazin-1-yl]ethanone
SMILESNc1ccc(CC(=O)N2CCN(c3ccccc3F)CC2)nc1
InChIInChI=1S/C17H19FN4O/c18-15-3-1-2-4-16(15)21-7-9-22(10-8-21)17(23)11-14-6-5-13(19)12-20-14/h1-6,12H,7-11,19H2
InChIKeyFPPJXHCYLAONJD-UHFFFAOYSA-N
XLogP1.69
TPSA62.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.36
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(5-amino-2-pyridinyl)-1-[4-(2-methylphenyl)piperazin-1-yl]ethanone;dihydrochloride
CID 120640034
2-(5-amino-2-pyridinyl)-1-[4-(2-nitrophenyl)piperazin-1-yl]ethanone
CID 120617310
6-[4-(2-fluorophenyl)piperazin-1-yl]pyridin-3-amine
CID 9161640
2-(5-amino-2-pyridinyl)-1-(4-hydroxy-4-methylpiperidin-1-yl)ethanone
CID 107339302
4-amino-1-[4-(2-fluorophenyl)piperazin-1-yl]butan-1-one
CID 22692254
1-[4-(2-fluorophenyl)piperazin-1-yl]-2-naphthalen-1-ylethanone
CID 20969017
1-[4-(2-fluorophenyl)piperazin-1-yl]-2-[2-(methylamino)-1,3-thiazol-4-yl]ethanone
CID 110386231
2-(4-chloro-2-fluorophenyl)-1-[4-(2-fluorophenyl)piperazin-1-yl]ethanone
CID 100751498
1-[4-(2-fluorophenyl)piperazin-1-yl]-2-phenoxyethanone
CID 807242
2-(5-amino-2-pyridinyl)-1-[4-(dimethylamino)piperidin-1-yl]ethanone;dihydrochloride
CID 120647975
6-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-1H-pyrimidine-2,4-dione
CID 110700048
2-[2-[(dimethylamino)methyl]-1,3-thiazol-4-yl]-1-[4-(2-fluorophenyl)piperazin-1-yl]ethanone
CID 110386746

Frequently Asked Questions

What is the IUPAC name of 2-(5-amino-2-pyridinyl)-1-[4-(2-fluorophenyl)piperazin-1-yl]ethanone?
The IUPAC name of 2-(5-amino-2-pyridinyl)-1-[4-(2-fluorophenyl)piperazin-1-yl]ethanone (CID 120639325) is 2-(5-amino-2-pyridinyl)-1-[4-(2-fluorophenyl)piperazin-1-yl]ethanone.
What is the SMILES notation for 2-(5-amino-2-pyridinyl)-1-[4-(2-fluorophenyl)piperazin-1-yl]ethanone?
The canonical SMILES for 2-(5-amino-2-pyridinyl)-1-[4-(2-fluorophenyl)piperazin-1-yl]ethanone is Nc1ccc(CC(=O)N2CCN(c3ccccc3F)CC2)nc1.
What is the InChIKey of 2-(5-amino-2-pyridinyl)-1-[4-(2-fluorophenyl)piperazin-1-yl]ethanone?
The InChIKey is FPPJXHCYLAONJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19FN4O/c18-15-3-1-2-4-16(15)21-7-9-22(10-8-21)17(23)11-14-6-5-13(19)12-20-14/h1-6,12H,7-11,19H2.
What are the key properties of 2-(5-amino-2-pyridinyl)-1-[4-(2-fluorophenyl)piperazin-1-yl]ethanone?
2-(5-amino-2-pyridinyl)-1-[4-(2-fluorophenyl)piperazin-1-yl]ethanone has a molecular weight of 314.36 g/mol, XLogP of 1.69, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-amino-2-pyridinyl)-1-[4-(2-fluorophenyl)piperazin-1-yl]ethanone is sourced from PubChem (CID 120639325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).