2-[2-(4-pyrazin-2-ylpiperazine-1-carbonyl)phenoxy]acetamide

C17H19N5O3 — CID 32647513

IUPAC2-[2-(4-pyrazin-2-ylpiperazine-1-carbonyl)phenoxy]acetamide
SMILESNC(=O)COc1ccccc1C(=O)N1CCN(c2cnccn2)CC1
InChIInChI=1S/C17H19N5O3/c18-15(23)12-25-14-4-2-1-3-13(14)17(24)22-9-7-21(8-10-22)16-11-19-5-6-20-16/h1-6,11H,7-10,12H2,(H2,18,23)
InChIKeyKRLLBQJCHIFIQI-UHFFFAOYSA-N
MW341.37 g/mol
LogP0.30
Rot. Bonds5

About 2-[2-(4-pyrazin-2-ylpiperazine-1-carbonyl)phenoxy]acetamide

2-[2-(4-pyrazin-2-ylpiperazine-1-carbonyl)phenoxy]acetamide (PubChem CID 32647513) has the molecular formula C17H19N5O3 and a molecular weight of 341.37 g/mol. Its IUPAC name is 2-[2-(4-pyrazin-2-ylpiperazine-1-carbonyl)phenoxy]acetamide.

Molecular Properties

Compound Name2-[2-(4-pyrazin-2-ylpiperazine-1-carbonyl)phenoxy]acetamide
PubChem CID32647513
Molecular FormulaC17H19N5O3
Molecular Weight341.37 g/mol
Exact Mass341.15
IUPAC Name2-[2-(4-pyrazin-2-ylpiperazine-1-carbonyl)phenoxy]acetamide
SMILESNC(=O)COc1ccccc1C(=O)N1CCN(c2cnccn2)CC1
InChIInChI=1S/C17H19N5O3/c18-15(23)12-25-14-4-2-1-3-13(14)17(24)22-9-7-21(8-10-22)16-11-19-5-6-20-16/h1-6,11H,7-10,12H2,(H2,18,23)
InChIKeyKRLLBQJCHIFIQI-UHFFFAOYSA-N
XLogP0.30
TPSA101.65 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.37
LogP ≤ 50.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(4-pyrazin-2-ylpiperazin-1-yl)-[2-(trifluoromethyl)phenyl]methanone
CID 13298543
(2,3-dimethylphenyl)-(4-pyrazin-2-ylpiperazin-1-yl)methanone
CID 42023215
(2,3-dichlorophenyl)-(4-pyrazin-2-ylpiperazin-1-yl)methanone
CID 42023174
(4-pyrazin-2-ylpiperazin-1-yl)-[2-(trifluoromethyl)-3-pyridinyl]methanone
CID 146124118
(2-methylsulfanyl-3-pyridinyl)-(4-pyrazin-2-ylpiperazin-1-yl)methanone
CID 42023433
[1-(2-methylbenzoyl)piperidin-4-yl]-(4-pyrazin-2-ylpiperazin-1-yl)methanone
CID 18133999
2-[2-(4-ethyl-4-hydroxypiperidine-1-carbonyl)phenoxy]acetamide
CID 119138250
(3-phenyl-1H-pyrazol-5-yl)-(4-pyrazin-2-ylpiperazin-1-yl)methanone
CID 42024085
(2-ethoxyphenyl)-[4-(6-methoxypyridazin-3-yl)piperazin-1-yl]methanone
CID 16883306
[3-(2-methoxyphenyl)-1H-pyrazol-5-yl]-(4-pyrazin-2-ylpiperazin-1-yl)methanone
CID 29029295
(4-pyrazin-2-ylpiperazin-1-yl)-[2-(thiophen-2-ylmethylsulfanyl)phenyl]methanone
CID 32646532
2-[2-(4-phenylmethoxypiperidine-1-carbonyl)phenoxy]acetamide
CID 120660781

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-pyrazin-2-ylpiperazine-1-carbonyl)phenoxy]acetamide?
The IUPAC name of 2-[2-(4-pyrazin-2-ylpiperazine-1-carbonyl)phenoxy]acetamide (CID 32647513) is 2-[2-(4-pyrazin-2-ylpiperazine-1-carbonyl)phenoxy]acetamide.
What is the SMILES notation for 2-[2-(4-pyrazin-2-ylpiperazine-1-carbonyl)phenoxy]acetamide?
The canonical SMILES for 2-[2-(4-pyrazin-2-ylpiperazine-1-carbonyl)phenoxy]acetamide is NC(=O)COc1ccccc1C(=O)N1CCN(c2cnccn2)CC1.
What is the InChIKey of 2-[2-(4-pyrazin-2-ylpiperazine-1-carbonyl)phenoxy]acetamide?
The InChIKey is KRLLBQJCHIFIQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N5O3/c18-15(23)12-25-14-4-2-1-3-13(14)17(24)22-9-7-21(8-10-22)16-11-19-5-6-20-16/h1-6,11H,7-10,12H2,(H2,18,23).
What are the key properties of 2-[2-(4-pyrazin-2-ylpiperazine-1-carbonyl)phenoxy]acetamide?
2-[2-(4-pyrazin-2-ylpiperazine-1-carbonyl)phenoxy]acetamide has a molecular weight of 341.37 g/mol, XLogP of 0.30, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-pyrazin-2-ylpiperazine-1-carbonyl)phenoxy]acetamide is sourced from PubChem (CID 32647513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).