1-(4-acetylpiperazin-1-yl)-2-(2-benzylphenoxy)ethanone

C21H24N2O3 — CID 78767258

IUPAC1-(4-acetylpiperazin-1-yl)-2-(2-benzylphenoxy)ethanone
SMILESCC(=O)N1CCN(C(=O)COc2ccccc2Cc2ccccc2)CC1
InChIInChI=1S/C21H24N2O3/c1-17(24)22-11-13-23(14-12-22)21(25)16-26-20-10-6-5-9-19(20)15-18-7-3-2-4-8-18/h2-10H,11-16H2,1H3
InChIKeyVIJSQMKKGVHPKJ-UHFFFAOYSA-N
MW352.43 g/mol
LogP2.35
Rot. Bonds5

About 1-(4-acetylpiperazin-1-yl)-2-(2-benzylphenoxy)ethanone

1-(4-acetylpiperazin-1-yl)-2-(2-benzylphenoxy)ethanone (PubChem CID 78767258) has the molecular formula C21H24N2O3 and a molecular weight of 352.43 g/mol. Its IUPAC name is 1-(4-acetylpiperazin-1-yl)-2-(2-benzylphenoxy)ethanone.

Molecular Properties

Compound Name1-(4-acetylpiperazin-1-yl)-2-(2-benzylphenoxy)ethanone
PubChem CID78767258
Molecular FormulaC21H24N2O3
Molecular Weight352.43 g/mol
Exact Mass352.18
IUPAC Name1-(4-acetylpiperazin-1-yl)-2-(2-benzylphenoxy)ethanone
SMILESCC(=O)N1CCN(C(=O)COc2ccccc2Cc2ccccc2)CC1
InChIInChI=1S/C21H24N2O3/c1-17(24)22-11-13-23(14-12-22)21(25)16-26-20-10-6-5-9-19(20)15-18-7-3-2-4-8-18/h2-10H,11-16H2,1H3
InChIKeyVIJSQMKKGVHPKJ-UHFFFAOYSA-N
XLogP2.35
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.43
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-benzylphenoxy)-1-pyrrolidin-1-ylethanone
CID 78760780
1-(4-benzoylpiperazin-1-yl)-2-(2-benzylphenoxy)ethanone
CID 7936761
2-(2-benzylphenoxy)-1-(4-methylidenepiperidin-1-yl)ethanone
CID 56570370
2-[4-[2-(2-benzylphenoxy)acetyl]piperazin-1-yl]-N-methylacetamide
CID 60529408
methyl 1-[2-(2-benzylphenoxy)acetyl]piperidine-4-carboxylate
CID 8922558
1-(4-acetylpiperazin-1-yl)-2-(2-phenylphenoxy)ethanone
CID 35741660
1-(4-benzylpiperazin-1-yl)-2-(2-ethylphenoxy)ethanone
CID 2476156
2-(2-benzylphenoxy)-1-(3-hydroxypiperidin-1-yl)ethanone
CID 110878366
2-(2-benzylphenoxy)-N-methylacetamide
CID 7661700
1-[(3R)-3-(aminomethyl)pyrrolidin-1-yl]-2-(2-benzylphenoxy)ethanone
CID 124611231
2-(2-benzylphenoxy)-1-(3-bromo-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)ethanone
CID 100644833
1-(4-acetylpiperazin-1-yl)-2-(2-propan-2-ylphenoxy)ethanone
CID 112977426

Frequently Asked Questions

What is the IUPAC name of 1-(4-acetylpiperazin-1-yl)-2-(2-benzylphenoxy)ethanone?
The IUPAC name of 1-(4-acetylpiperazin-1-yl)-2-(2-benzylphenoxy)ethanone (CID 78767258) is 1-(4-acetylpiperazin-1-yl)-2-(2-benzylphenoxy)ethanone.
What is the SMILES notation for 1-(4-acetylpiperazin-1-yl)-2-(2-benzylphenoxy)ethanone?
The canonical SMILES for 1-(4-acetylpiperazin-1-yl)-2-(2-benzylphenoxy)ethanone is CC(=O)N1CCN(C(=O)COc2ccccc2Cc2ccccc2)CC1.
What is the InChIKey of 1-(4-acetylpiperazin-1-yl)-2-(2-benzylphenoxy)ethanone?
The InChIKey is VIJSQMKKGVHPKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O3/c1-17(24)22-11-13-23(14-12-22)21(25)16-26-20-10-6-5-9-19(20)15-18-7-3-2-4-8-18/h2-10H,11-16H2,1H3.
What are the key properties of 1-(4-acetylpiperazin-1-yl)-2-(2-benzylphenoxy)ethanone?
1-(4-acetylpiperazin-1-yl)-2-(2-benzylphenoxy)ethanone has a molecular weight of 352.43 g/mol, XLogP of 2.35, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-acetylpiperazin-1-yl)-2-(2-benzylphenoxy)ethanone is sourced from PubChem (CID 78767258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).