1-[4-(2-fluorophenyl)piperazin-1-yl]-2-[methyl(pyrazin-2-yl)amino]ethanone

C17H20FN5O — CID 56812305

IUPAC1-[4-(2-fluorophenyl)piperazin-1-yl]-2-[methyl(pyrazin-2-yl)amino]ethanone
SMILESCN(CC(=O)N1CCN(c2ccccc2F)CC1)c1cnccn1
InChIInChI=1S/C17H20FN5O/c1-21(16-12-19-6-7-20-16)13-17(24)23-10-8-22(9-11-23)15-5-3-2-4-14(15)18/h2-7,12H,8-11,13H2,1H3
InChIKeyRXWSIKLZLNJSFM-UHFFFAOYSA-N
MW329.38 g/mol
LogP1.40
Rot. Bonds4

About 1-[4-(2-fluorophenyl)piperazin-1-yl]-2-[methyl(pyrazin-2-yl)amino]ethanone

1-[4-(2-fluorophenyl)piperazin-1-yl]-2-[methyl(pyrazin-2-yl)amino]ethanone (PubChem CID 56812305) has the molecular formula C17H20FN5O and a molecular weight of 329.38 g/mol. Its IUPAC name is 1-[4-(2-fluorophenyl)piperazin-1-yl]-2-[methyl(pyrazin-2-yl)amino]ethanone.

Molecular Properties

Compound Name1-[4-(2-fluorophenyl)piperazin-1-yl]-2-[methyl(pyrazin-2-yl)amino]ethanone
PubChem CID56812305
Molecular FormulaC17H20FN5O
Molecular Weight329.38 g/mol
Exact Mass329.17
IUPAC Name1-[4-(2-fluorophenyl)piperazin-1-yl]-2-[methyl(pyrazin-2-yl)amino]ethanone
SMILESCN(CC(=O)N1CCN(c2ccccc2F)CC1)c1cnccn1
InChIInChI=1S/C17H20FN5O/c1-21(16-12-19-6-7-20-16)13-17(24)23-10-8-22(9-11-23)15-5-3-2-4-14(15)18/h2-7,12H,8-11,13H2,1H3
InChIKeyRXWSIKLZLNJSFM-UHFFFAOYSA-N
XLogP1.40
TPSA52.57 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.38
LogP ≤ 51.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-fluorophenyl)piperazin-1-yl]-2-[methyl(pyrazin-2-yl)amino]ethanone?
The IUPAC name of 1-[4-(2-fluorophenyl)piperazin-1-yl]-2-[methyl(pyrazin-2-yl)amino]ethanone (CID 56812305) is 1-[4-(2-fluorophenyl)piperazin-1-yl]-2-[methyl(pyrazin-2-yl)amino]ethanone.
What is the SMILES notation for 1-[4-(2-fluorophenyl)piperazin-1-yl]-2-[methyl(pyrazin-2-yl)amino]ethanone?
The canonical SMILES for 1-[4-(2-fluorophenyl)piperazin-1-yl]-2-[methyl(pyrazin-2-yl)amino]ethanone is CN(CC(=O)N1CCN(c2ccccc2F)CC1)c1cnccn1.
What is the InChIKey of 1-[4-(2-fluorophenyl)piperazin-1-yl]-2-[methyl(pyrazin-2-yl)amino]ethanone?
The InChIKey is RXWSIKLZLNJSFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FN5O/c1-21(16-12-19-6-7-20-16)13-17(24)23-10-8-22(9-11-23)15-5-3-2-4-14(15)18/h2-7,12H,8-11,13H2,1H3.
What are the key properties of 1-[4-(2-fluorophenyl)piperazin-1-yl]-2-[methyl(pyrazin-2-yl)amino]ethanone?
1-[4-(2-fluorophenyl)piperazin-1-yl]-2-[methyl(pyrazin-2-yl)amino]ethanone has a molecular weight of 329.38 g/mol, XLogP of 1.40, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-fluorophenyl)piperazin-1-yl]-2-[methyl(pyrazin-2-yl)amino]ethanone is sourced from PubChem (CID 56812305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).