2-(4-chlorophenoxy)-1-[4-(pyrazine-2-carbonyl)piperazin-1-yl]ethanone

C17H17ClN4O3 — CID 55862707

IUPAC2-(4-chlorophenoxy)-1-[4-(pyrazine-2-carbonyl)piperazin-1-yl]ethanone
SMILESO=C(COc1ccc(Cl)cc1)N1CCN(C(=O)c2cnccn2)CC1
InChIInChI=1S/C17H17ClN4O3/c18-13-1-3-14(4-2-13)25-12-16(23)21-7-9-22(10-8-21)17(24)15-11-19-5-6-20-15/h1-6,11H,7-10,12H2
InChIKeyDAWCQORBMAHHLM-UHFFFAOYSA-N
MW360.80 g/mol
LogP1.49
Rot. Bonds4

About 2-(4-chlorophenoxy)-1-[4-(pyrazine-2-carbonyl)piperazin-1-yl]ethanone

2-(4-chlorophenoxy)-1-[4-(pyrazine-2-carbonyl)piperazin-1-yl]ethanone (PubChem CID 55862707) has the molecular formula C17H17ClN4O3 and a molecular weight of 360.80 g/mol. Its IUPAC name is 2-(4-chlorophenoxy)-1-[4-(pyrazine-2-carbonyl)piperazin-1-yl]ethanone.

Molecular Properties

Compound Name2-(4-chlorophenoxy)-1-[4-(pyrazine-2-carbonyl)piperazin-1-yl]ethanone
PubChem CID55862707
Molecular FormulaC17H17ClN4O3
Molecular Weight360.80 g/mol
Exact Mass360.10
IUPAC Name2-(4-chlorophenoxy)-1-[4-(pyrazine-2-carbonyl)piperazin-1-yl]ethanone
SMILESO=C(COc1ccc(Cl)cc1)N1CCN(C(=O)c2cnccn2)CC1
InChIInChI=1S/C17H17ClN4O3/c18-13-1-3-14(4-2-13)25-12-16(23)21-7-9-22(10-8-21)17(24)15-11-19-5-6-20-15/h1-6,11H,7-10,12H2
InChIKeyDAWCQORBMAHHLM-UHFFFAOYSA-N
XLogP1.49
TPSA75.63 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.80
LogP ≤ 51.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-(4-chlorophenyl)-1-[4-(pyrazine-2-carbonyl)piperazin-1-yl]propan-1-one
CID 108536947
2-(2-ethylphenoxy)-1-[4-(pyrazine-2-carbonyl)piperazin-1-yl]ethanone
CID 108536995
1-[4-[2-(4-chlorophenoxy)acetyl]piperazin-1-yl]-2-methoxyethanone
CID 108536476
2-(4-chlorophenoxy)-1-[4-(pyridin-4-ylmethyl)piperazin-1-yl]ethanone;hydrochloride
CID 52988489
1-[4-(5-tert-butyl-1H-pyrazole-3-carbonyl)piperazin-1-yl]-2-(4-chlorophenoxy)ethanone
CID 86821006
2-(2-methylphenoxy)-1-[4-(pyrazine-2-carbonyl)-1,4-diazepan-1-yl]ethanone
CID 110809800
2-(4-chlorophenoxy)-1-[4-(3,4,5-trihydroxybenzoyl)piperazin-1-yl]ethanone
CID 108534860
2-(2-ethylphenoxy)-1-[4-(pyrazine-2-carbonyl)-1,4-diazepan-1-yl]ethanone
CID 108547981
N-(4-chlorophenyl)-4-(pyrazine-2-carbonyl)-1,4-diazepane-1-carboxamide
CID 110813242
2-(4-chlorophenoxy)-1-(4-cyclopropylidenepiperidin-1-yl)ethanone
CID 121186881
2-(4-chlorophenoxy)-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone
CID 719964
2-(4-chlorophenoxy)-1-[4-(2-pyridin-4-ylethyl)piperazin-1-yl]ethanone;hydrochloride
CID 52984309

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenoxy)-1-[4-(pyrazine-2-carbonyl)piperazin-1-yl]ethanone?
The IUPAC name of 2-(4-chlorophenoxy)-1-[4-(pyrazine-2-carbonyl)piperazin-1-yl]ethanone (CID 55862707) is 2-(4-chlorophenoxy)-1-[4-(pyrazine-2-carbonyl)piperazin-1-yl]ethanone.
What is the SMILES notation for 2-(4-chlorophenoxy)-1-[4-(pyrazine-2-carbonyl)piperazin-1-yl]ethanone?
The canonical SMILES for 2-(4-chlorophenoxy)-1-[4-(pyrazine-2-carbonyl)piperazin-1-yl]ethanone is O=C(COc1ccc(Cl)cc1)N1CCN(C(=O)c2cnccn2)CC1.
What is the InChIKey of 2-(4-chlorophenoxy)-1-[4-(pyrazine-2-carbonyl)piperazin-1-yl]ethanone?
The InChIKey is DAWCQORBMAHHLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClN4O3/c18-13-1-3-14(4-2-13)25-12-16(23)21-7-9-22(10-8-21)17(24)15-11-19-5-6-20-15/h1-6,11H,7-10,12H2.
What are the key properties of 2-(4-chlorophenoxy)-1-[4-(pyrazine-2-carbonyl)piperazin-1-yl]ethanone?
2-(4-chlorophenoxy)-1-[4-(pyrazine-2-carbonyl)piperazin-1-yl]ethanone has a molecular weight of 360.80 g/mol, XLogP of 1.49, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenoxy)-1-[4-(pyrazine-2-carbonyl)piperazin-1-yl]ethanone is sourced from PubChem (CID 55862707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).