3-[4-[2-(2-butan-2-ylphenoxy)acetyl]piperazin-1-yl]-1H-pyrazin-2-one

C20H26N4O3 — CID 90648239

IUPAC3-[4-[2-(2-butan-2-ylphenoxy)acetyl]piperazin-1-yl]-1H-pyrazin-2-one
SMILESCCC(C)c1ccccc1OCC(=O)N1CCN(c2ncc[nH]c2=O)CC1
InChIInChI=1S/C20H26N4O3/c1-3-15(2)16-6-4-5-7-17(16)27-14-18(25)23-10-12-24(13-11-23)19-20(26)22-9-8-21-19/h4-9,15H,3,10-14H2,1-2H3,(H,22,26)
InChIKeyLVXSQJZSURGYMP-UHFFFAOYSA-N
MW370.45 g/mol
LogP2.01
Rot. Bonds6

About 3-[4-[2-(2-butan-2-ylphenoxy)acetyl]piperazin-1-yl]-1H-pyrazin-2-one

3-[4-[2-(2-butan-2-ylphenoxy)acetyl]piperazin-1-yl]-1H-pyrazin-2-one (PubChem CID 90648239) has the molecular formula C20H26N4O3 and a molecular weight of 370.45 g/mol. Its IUPAC name is 3-[4-[2-(2-butan-2-ylphenoxy)acetyl]piperazin-1-yl]-1H-pyrazin-2-one.

Molecular Properties

Compound Name3-[4-[2-(2-butan-2-ylphenoxy)acetyl]piperazin-1-yl]-1H-pyrazin-2-one
PubChem CID90648239
Molecular FormulaC20H26N4O3
Molecular Weight370.45 g/mol
Exact Mass370.20
IUPAC Name3-[4-[2-(2-butan-2-ylphenoxy)acetyl]piperazin-1-yl]-1H-pyrazin-2-one
SMILESCCC(C)c1ccccc1OCC(=O)N1CCN(c2ncc[nH]c2=O)CC1
InChIInChI=1S/C20H26N4O3/c1-3-15(2)16-6-4-5-7-17(16)27-14-18(25)23-10-12-24(13-11-23)19-20(26)22-9-8-21-19/h4-9,15H,3,10-14H2,1-2H3,(H,22,26)
InChIKeyLVXSQJZSURGYMP-UHFFFAOYSA-N
XLogP2.01
TPSA78.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.45
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-[4-[2-(2-butan-2-ylphenoxy)acetyl]piperazin-1-yl]-1H-pyrazin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(2-butan-2-ylphenoxy)-1-[4-(2-hydroxyethyl)piperazin-1-yl]ethanone
CID 154743326
2-(2-butan-2-ylphenoxy)-1-[4-(4-methoxyphenyl)-1,4-diazepan-1-yl]ethanone
CID 55918427
2-[4-[2-(2-butan-2-ylphenoxy)acetyl]piperazin-1-yl]-1-piperidin-1-ylpropan-1-one
CID 86891172
2-(2-butan-2-ylphenoxy)-1-(3-methylpiperazin-1-yl)ethanone;hydrochloride
CID 119579471
2-(2-butan-2-ylphenoxy)-1-[4-(3,4-difluorobenzoyl)piperazin-1-yl]ethanone
CID 46413255
1-(4-acetylpiperazin-1-yl)-2-(2-propan-2-ylphenoxy)ethanone
CID 112977426
2-[(3R)-1-[2-[2-[(2R)-butan-2-yl]phenoxy]acetyl]pyrrolidin-3-yl]oxyacetamide
CID 95788402
2-[2-(1-hydroxypropyl)phenoxy]-1-(4-methylpiperazin-1-yl)ethanone
CID 43503608
1-[3-(aminomethyl)pyrrolidin-1-yl]-2-(2-butan-2-ylphenoxy)ethanone
CID 122147702
1-[(3S)-3-aminopiperidin-1-yl]-2-[2-[(2S)-butan-2-yl]phenoxy]ethanone
CID 124628217
2-(2-butan-2-ylphenoxy)-1-(1,4-dimethyl-1,4,9-triazaspiro[5.5]undecan-9-yl)ethanone
CID 56754034
2-[2-[(2S)-butan-2-yl]phenoxy]-1-(1,4-dimethyl-1,4,9-triazaspiro[5.5]undecan-9-yl)ethanone
CID 95216348

Frequently Asked Questions

What is the IUPAC name of 3-[4-[2-(2-butan-2-ylphenoxy)acetyl]piperazin-1-yl]-1H-pyrazin-2-one?
The IUPAC name of 3-[4-[2-(2-butan-2-ylphenoxy)acetyl]piperazin-1-yl]-1H-pyrazin-2-one (CID 90648239) is 3-[4-[2-(2-butan-2-ylphenoxy)acetyl]piperazin-1-yl]-1H-pyrazin-2-one.
What is the SMILES notation for 3-[4-[2-(2-butan-2-ylphenoxy)acetyl]piperazin-1-yl]-1H-pyrazin-2-one?
The canonical SMILES for 3-[4-[2-(2-butan-2-ylphenoxy)acetyl]piperazin-1-yl]-1H-pyrazin-2-one is CCC(C)c1ccccc1OCC(=O)N1CCN(c2ncc[nH]c2=O)CC1.
What is the InChIKey of 3-[4-[2-(2-butan-2-ylphenoxy)acetyl]piperazin-1-yl]-1H-pyrazin-2-one?
The InChIKey is LVXSQJZSURGYMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O3/c1-3-15(2)16-6-4-5-7-17(16)27-14-18(25)23-10-12-24(13-11-23)19-20(26)22-9-8-21-19/h4-9,15H,3,10-14H2,1-2H3,(H,22,26).
What are the key properties of 3-[4-[2-(2-butan-2-ylphenoxy)acetyl]piperazin-1-yl]-1H-pyrazin-2-one?
3-[4-[2-(2-butan-2-ylphenoxy)acetyl]piperazin-1-yl]-1H-pyrazin-2-one has a molecular weight of 370.45 g/mol, XLogP of 2.01, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[2-(2-butan-2-ylphenoxy)acetyl]piperazin-1-yl]-1H-pyrazin-2-one is sourced from PubChem (CID 90648239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).