2-(3-bromo-2-fluorophenyl)-1-(4-pyrazin-2-ylpiperazin-1-yl)ethanone

C16H16BrFN4O — CID 146022604

IUPAC2-(3-bromo-2-fluorophenyl)-1-(4-pyrazin-2-ylpiperazin-1-yl)ethanone
SMILESO=C(Cc1cccc(Br)c1F)N1CCN(c2cnccn2)CC1
InChIInChI=1S/C16H16BrFN4O/c17-13-3-1-2-12(16(13)18)10-15(23)22-8-6-21(7-9-22)14-11-19-4-5-20-14/h1-5,11H,6-10H2
InChIKeyNNDXLBHXIOUJOV-UHFFFAOYSA-N
MW379.23 g/mol
LogP2.27
Rot. Bonds3

About 2-(3-bromo-2-fluorophenyl)-1-(4-pyrazin-2-ylpiperazin-1-yl)ethanone

2-(3-bromo-2-fluorophenyl)-1-(4-pyrazin-2-ylpiperazin-1-yl)ethanone (PubChem CID 146022604) has the molecular formula C16H16BrFN4O and a molecular weight of 379.23 g/mol. Its IUPAC name is 2-(3-bromo-2-fluorophenyl)-1-(4-pyrazin-2-ylpiperazin-1-yl)ethanone.

Molecular Properties

Compound Name2-(3-bromo-2-fluorophenyl)-1-(4-pyrazin-2-ylpiperazin-1-yl)ethanone
PubChem CID146022604
Molecular FormulaC16H16BrFN4O
Molecular Weight379.23 g/mol
Exact Mass378.05
IUPAC Name2-(3-bromo-2-fluorophenyl)-1-(4-pyrazin-2-ylpiperazin-1-yl)ethanone
SMILESO=C(Cc1cccc(Br)c1F)N1CCN(c2cnccn2)CC1
InChIInChI=1S/C16H16BrFN4O/c17-13-3-1-2-12(16(13)18)10-15(23)22-8-6-21(7-9-22)14-11-19-4-5-20-14/h1-5,11H,6-10H2
InChIKeyNNDXLBHXIOUJOV-UHFFFAOYSA-N
XLogP2.27
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.23
LogP ≤ 52.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-methylphenyl)-1-(4-pyrazin-2-ylpiperazin-1-yl)ethanone
CID 13298536
2-(2-methoxyphenyl)-1-(4-pyrazin-2-yl-1,4-diazepan-1-yl)ethanone
CID 138385444
1-(4-pyrazin-2-ylpiperazin-1-yl)propan-1-one
CID 60715497
2-(4-bromo-2-fluorophenoxy)-1-(4-pyrazin-2-ylpiperazin-1-yl)ethanone
CID 17498992
2-(4-methoxyphenyl)-1-(4-pyrazin-2-ylpiperazin-1-yl)ethanone
CID 42023151
2-imidazo[1,2-a]pyridin-2-yl-1-(4-pyrazin-2-ylpiperazin-1-yl)ethanone
CID 33114380
1-(4-pyrazin-2-ylpiperazin-1-yl)pentan-1-one
CID 143717135
2-ethoxy-1-(4-pyrazin-2-ylpiperazin-1-yl)ethanone
CID 60712299
2-(2-amino-1,3-thiazol-4-yl)-1-(4-pyrazin-2-ylpiperazin-1-yl)ethanone
CID 62800155
2-(2-bromophenyl)-1-[4-(pyridine-3-carbonyl)piperazin-1-yl]ethanone
CID 108924441
2-(3-amino-1,2,4-triazol-1-yl)-1-(4-pyrazin-2-ylpiperazin-1-yl)ethanone
CID 61107847
2-(1,1-dioxo-1,4-thiazinan-4-yl)-1-(4-pyrazin-2-ylpiperazin-1-yl)ethanone
CID 56796063

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromo-2-fluorophenyl)-1-(4-pyrazin-2-ylpiperazin-1-yl)ethanone?
The IUPAC name of 2-(3-bromo-2-fluorophenyl)-1-(4-pyrazin-2-ylpiperazin-1-yl)ethanone (CID 146022604) is 2-(3-bromo-2-fluorophenyl)-1-(4-pyrazin-2-ylpiperazin-1-yl)ethanone.
What is the SMILES notation for 2-(3-bromo-2-fluorophenyl)-1-(4-pyrazin-2-ylpiperazin-1-yl)ethanone?
The canonical SMILES for 2-(3-bromo-2-fluorophenyl)-1-(4-pyrazin-2-ylpiperazin-1-yl)ethanone is O=C(Cc1cccc(Br)c1F)N1CCN(c2cnccn2)CC1.
What is the InChIKey of 2-(3-bromo-2-fluorophenyl)-1-(4-pyrazin-2-ylpiperazin-1-yl)ethanone?
The InChIKey is NNDXLBHXIOUJOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16BrFN4O/c17-13-3-1-2-12(16(13)18)10-15(23)22-8-6-21(7-9-22)14-11-19-4-5-20-14/h1-5,11H,6-10H2.
What are the key properties of 2-(3-bromo-2-fluorophenyl)-1-(4-pyrazin-2-ylpiperazin-1-yl)ethanone?
2-(3-bromo-2-fluorophenyl)-1-(4-pyrazin-2-ylpiperazin-1-yl)ethanone has a molecular weight of 379.23 g/mol, XLogP of 2.27, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromo-2-fluorophenyl)-1-(4-pyrazin-2-ylpiperazin-1-yl)ethanone is sourced from PubChem (CID 146022604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).