2-(4-hydroxyphenoxy)-1-[4-(pyrazine-2-carbonyl)piperazin-1-yl]propan-1-one

C18H20N4O4 — CID 108534701

IUPAC2-(4-hydroxyphenoxy)-1-[4-(pyrazine-2-carbonyl)piperazin-1-yl]propan-1-one
SMILESCC(Oc1ccc(O)cc1)C(=O)N1CCN(C(=O)c2cnccn2)CC1
InChIInChI=1S/C18H20N4O4/c1-13(26-15-4-2-14(23)3-5-15)17(24)21-8-10-22(11-9-21)18(25)16-12-19-6-7-20-16/h2-7,12-13,23H,8-11H2,1H3
InChIKeyUCBINAVBYKQBHP-UHFFFAOYSA-N
MW356.38 g/mol
LogP0.93
Rot. Bonds4

About 2-(4-hydroxyphenoxy)-1-[4-(pyrazine-2-carbonyl)piperazin-1-yl]propan-1-one

2-(4-hydroxyphenoxy)-1-[4-(pyrazine-2-carbonyl)piperazin-1-yl]propan-1-one (PubChem CID 108534701) has the molecular formula C18H20N4O4 and a molecular weight of 356.38 g/mol. Its IUPAC name is 2-(4-hydroxyphenoxy)-1-[4-(pyrazine-2-carbonyl)piperazin-1-yl]propan-1-one.

Molecular Properties

Compound Name2-(4-hydroxyphenoxy)-1-[4-(pyrazine-2-carbonyl)piperazin-1-yl]propan-1-one
PubChem CID108534701
Molecular FormulaC18H20N4O4
Molecular Weight356.38 g/mol
Exact Mass356.15
IUPAC Name2-(4-hydroxyphenoxy)-1-[4-(pyrazine-2-carbonyl)piperazin-1-yl]propan-1-one
SMILESCC(Oc1ccc(O)cc1)C(=O)N1CCN(C(=O)c2cnccn2)CC1
InChIInChI=1S/C18H20N4O4/c1-13(26-15-4-2-14(23)3-5-15)17(24)21-8-10-22(11-9-21)18(25)16-12-19-6-7-20-16/h2-7,12-13,23H,8-11H2,1H3
InChIKeyUCBINAVBYKQBHP-UHFFFAOYSA-N
XLogP0.93
TPSA95.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.38
LogP ≤ 50.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(4-hydroxyphenoxy)-1-[4-(pyrazine-2-carbonyl)-1,4-diazepan-1-yl]propan-1-one
CID 108545528
2-(4-propan-2-ylphenoxy)-1-[4-(pyrazine-2-carbonyl)piperazin-1-yl]propan-1-one
CID 108536055
2-(4-hydroxyphenoxy)-1-[4-[2-(4-hydroxyphenoxy)propanoyl]-1,4-diazepan-1-yl]propan-1-one
CID 108545473
2-chloro-1-[4-(pyrazine-2-carbonyl)piperazin-1-yl]propan-1-one
CID 108569993
2-(4-hydroxyphenoxy)-1-pyrrolidin-1-ylpropan-1-one
CID 43143333
(2R)-2-(4-methoxyphenoxy)-1-(4-pyrazin-2-ylpiperazin-1-yl)propan-1-one
CID 42024714
1-[4-(cyclopropanecarbonyl)piperazin-1-yl]-2-(4-hydroxyphenoxy)propan-1-one
CID 108534677
1-[4-(4-tert-butylbenzoyl)piperazin-1-yl]-2-(4-hydroxyphenoxy)propan-1-one
CID 108534667
1-[4-(4-chlorobenzoyl)piperazin-1-yl]-2-(4-hydroxyphenoxy)propan-1-one
CID 108534102
2-(4-propan-2-ylphenoxy)-1-[4-(pyridine-2-carbonyl)-1,4-diazepan-1-yl]propan-1-one
CID 108546838
2-(4-chlorophenoxy)-1-[4-(pyridine-2-carbonyl)-1,4-diazepan-1-yl]propan-1-one
CID 108546749
2-(4-hydroxyphenoxy)-1-[4-(2-phenoxyacetyl)piperazin-1-yl]propan-1-one
CID 108534685

Frequently Asked Questions

What is the IUPAC name of 2-(4-hydroxyphenoxy)-1-[4-(pyrazine-2-carbonyl)piperazin-1-yl]propan-1-one?
The IUPAC name of 2-(4-hydroxyphenoxy)-1-[4-(pyrazine-2-carbonyl)piperazin-1-yl]propan-1-one (CID 108534701) is 2-(4-hydroxyphenoxy)-1-[4-(pyrazine-2-carbonyl)piperazin-1-yl]propan-1-one.
What is the SMILES notation for 2-(4-hydroxyphenoxy)-1-[4-(pyrazine-2-carbonyl)piperazin-1-yl]propan-1-one?
The canonical SMILES for 2-(4-hydroxyphenoxy)-1-[4-(pyrazine-2-carbonyl)piperazin-1-yl]propan-1-one is CC(Oc1ccc(O)cc1)C(=O)N1CCN(C(=O)c2cnccn2)CC1.
What is the InChIKey of 2-(4-hydroxyphenoxy)-1-[4-(pyrazine-2-carbonyl)piperazin-1-yl]propan-1-one?
The InChIKey is UCBINAVBYKQBHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O4/c1-13(26-15-4-2-14(23)3-5-15)17(24)21-8-10-22(11-9-21)18(25)16-12-19-6-7-20-16/h2-7,12-13,23H,8-11H2,1H3.
What are the key properties of 2-(4-hydroxyphenoxy)-1-[4-(pyrazine-2-carbonyl)piperazin-1-yl]propan-1-one?
2-(4-hydroxyphenoxy)-1-[4-(pyrazine-2-carbonyl)piperazin-1-yl]propan-1-one has a molecular weight of 356.38 g/mol, XLogP of 0.93, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-hydroxyphenoxy)-1-[4-(pyrazine-2-carbonyl)piperazin-1-yl]propan-1-one is sourced from PubChem (CID 108534701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).