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

C19H22N4O3 — CID 108536995

IUPAC2-(2-ethylphenoxy)-1-[4-(pyrazine-2-carbonyl)piperazin-1-yl]ethanone
SMILESCCc1ccccc1OCC(=O)N1CCN(C(=O)c2cnccn2)CC1
InChIInChI=1S/C19H22N4O3/c1-2-15-5-3-4-6-17(15)26-14-18(24)22-9-11-23(12-10-22)19(25)16-13-20-7-8-21-16/h3-8,13H,2,9-12,14H2,1H3
InChIKeyZTCRRYPTXUGJAV-UHFFFAOYSA-N
MW354.41 g/mol
LogP1.40
Rot. Bonds5

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

2-(2-ethylphenoxy)-1-[4-(pyrazine-2-carbonyl)piperazin-1-yl]ethanone (PubChem CID 108536995) has the molecular formula C19H22N4O3 and a molecular weight of 354.41 g/mol. Its IUPAC name is 2-(2-ethylphenoxy)-1-[4-(pyrazine-2-carbonyl)piperazin-1-yl]ethanone.

Molecular Properties

Compound Name2-(2-ethylphenoxy)-1-[4-(pyrazine-2-carbonyl)piperazin-1-yl]ethanone
PubChem CID108536995
Molecular FormulaC19H22N4O3
Molecular Weight354.41 g/mol
Exact Mass354.17
IUPAC Name2-(2-ethylphenoxy)-1-[4-(pyrazine-2-carbonyl)piperazin-1-yl]ethanone
SMILESCCc1ccccc1OCC(=O)N1CCN(C(=O)c2cnccn2)CC1
InChIInChI=1S/C19H22N4O3/c1-2-15-5-3-4-6-17(15)26-14-18(24)22-9-11-23(12-10-22)19(25)16-13-20-7-8-21-16/h3-8,13H,2,9-12,14H2,1H3
InChIKeyZTCRRYPTXUGJAV-UHFFFAOYSA-N
XLogP1.40
TPSA75.63 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.41
LogP ≤ 51.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2-ethylphenoxy)-1-[4-(pyrazine-2-carbonyl)-1,4-diazepan-1-yl]ethanone
CID 108547981
2-(2-methylphenoxy)-1-[4-(pyrazine-2-carbonyl)-1,4-diazepan-1-yl]ethanone
CID 110809800
2-(4-chlorophenoxy)-1-[4-(pyrazine-2-carbonyl)piperazin-1-yl]ethanone
CID 55862707
1-[4-(3,4-dichlorobenzoyl)piperazin-1-yl]-2-(2-ethylphenoxy)ethanone
CID 108533558
2-(2-ethylphenoxy)-1-(4-methylpiperidin-1-yl)ethanone
CID 78760389
1-(4-benzylpiperazin-1-yl)-2-(2-ethylphenoxy)ethanone
CID 2476156
3-ethoxy-1-[4-(pyrazine-2-carbonyl)-1,4-diazepan-1-yl]propan-1-one
CID 137340312
prop-2-enyl 4-[2-(2-ethylphenoxy)acetyl]piperazine-1-carboxylate
CID 108569944
2-(2-ethylphenoxy)-1-[4-[(2R)-2-hydroxypropyl]piperazin-1-yl]ethanone
CID 95606814
[2-[(2-methoxyphenyl)methyl]-2,7-diazaspiro[3.5]nonan-7-yl]-pyrazin-2-ylmethanone
CID 3233419
2-methylpropyl 4-[2-(2-ethylphenoxy)acetyl]piperazine-1-carboxylate
CID 108569933
3-[4-[2-(2-ethylphenoxy)acetyl]-1,4-diazepan-1-yl]-3-oxopropanenitrile
CID 108543385

Frequently Asked Questions

What is the IUPAC name of 2-(2-ethylphenoxy)-1-[4-(pyrazine-2-carbonyl)piperazin-1-yl]ethanone?
The IUPAC name of 2-(2-ethylphenoxy)-1-[4-(pyrazine-2-carbonyl)piperazin-1-yl]ethanone (CID 108536995) is 2-(2-ethylphenoxy)-1-[4-(pyrazine-2-carbonyl)piperazin-1-yl]ethanone.
What is the SMILES notation for 2-(2-ethylphenoxy)-1-[4-(pyrazine-2-carbonyl)piperazin-1-yl]ethanone?
The canonical SMILES for 2-(2-ethylphenoxy)-1-[4-(pyrazine-2-carbonyl)piperazin-1-yl]ethanone is CCc1ccccc1OCC(=O)N1CCN(C(=O)c2cnccn2)CC1.
What is the InChIKey of 2-(2-ethylphenoxy)-1-[4-(pyrazine-2-carbonyl)piperazin-1-yl]ethanone?
The InChIKey is ZTCRRYPTXUGJAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O3/c1-2-15-5-3-4-6-17(15)26-14-18(24)22-9-11-23(12-10-22)19(25)16-13-20-7-8-21-16/h3-8,13H,2,9-12,14H2,1H3.
What are the key properties of 2-(2-ethylphenoxy)-1-[4-(pyrazine-2-carbonyl)piperazin-1-yl]ethanone?
2-(2-ethylphenoxy)-1-[4-(pyrazine-2-carbonyl)piperazin-1-yl]ethanone has a molecular weight of 354.41 g/mol, XLogP of 1.40, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethylphenoxy)-1-[4-(pyrazine-2-carbonyl)piperazin-1-yl]ethanone is sourced from PubChem (CID 108536995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).