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

C26H26N2O3 — CID 7936761

IUPAC1-(4-benzoylpiperazin-1-yl)-2-(2-benzylphenoxy)ethanone
SMILESO=C(COc1ccccc1Cc1ccccc1)N1CCN(C(=O)c2ccccc2)CC1
InChIInChI=1S/C26H26N2O3/c29-25(27-15-17-28(18-16-27)26(30)22-11-5-2-6-12-22)20-31-24-14-8-7-13-23(24)19-21-9-3-1-4-10-21/h1-14H,15-20H2
InChIKeyWWVDRDBFLYXLPL-UHFFFAOYSA-N
MW414.51 g/mol
LogP3.64
Rot. Bonds6

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

1-(4-benzoylpiperazin-1-yl)-2-(2-benzylphenoxy)ethanone (PubChem CID 7936761) has the molecular formula C26H26N2O3 and a molecular weight of 414.51 g/mol. Its IUPAC name is 1-(4-benzoylpiperazin-1-yl)-2-(2-benzylphenoxy)ethanone.

Molecular Properties

Compound Name1-(4-benzoylpiperazin-1-yl)-2-(2-benzylphenoxy)ethanone
PubChem CID7936761
Molecular FormulaC26H26N2O3
Molecular Weight414.51 g/mol
Exact Mass414.19
IUPAC Name1-(4-benzoylpiperazin-1-yl)-2-(2-benzylphenoxy)ethanone
SMILESO=C(COc1ccccc1Cc1ccccc1)N1CCN(C(=O)c2ccccc2)CC1
InChIInChI=1S/C26H26N2O3/c29-25(27-15-17-28(18-16-27)26(30)22-11-5-2-6-12-22)20-31-24-14-8-7-13-23(24)19-21-9-3-1-4-10-21/h1-14H,15-20H2
InChIKeyWWVDRDBFLYXLPL-UHFFFAOYSA-N
XLogP3.64
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.51
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-acetylpiperazin-1-yl)-2-(2-benzylphenoxy)ethanone
CID 78767258
2-(2-benzylphenoxy)-1-pyrrolidin-1-ylethanone
CID 78760780
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-benzoylpiperazin-1-yl)-2-(2-propan-2-ylphenoxy)ethanone
CID 18112391
2-(2-benzylphenoxy)-1-(3-hydroxypiperidin-1-yl)ethanone
CID 110878366
1-[4-(4-methylbenzoyl)piperazin-1-yl]-2-(2-methylphenoxy)ethanone
CID 39572448
1-[(3R)-3-(aminomethyl)pyrrolidin-1-yl]-2-(2-benzylphenoxy)ethanone
CID 124611231
4-[4-(2-naphthalen-1-yloxyacetyl)piperazine-1-carbonyl]benzoic acid
CID 2050449
1-(4-benzylpiperazin-1-yl)-2-(2-ethylphenoxy)ethanone
CID 2476156
2-(2-benzylphenoxy)-1-(3-bromo-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)ethanone
CID 100644833

Frequently Asked Questions

What is the IUPAC name of 1-(4-benzoylpiperazin-1-yl)-2-(2-benzylphenoxy)ethanone?
The IUPAC name of 1-(4-benzoylpiperazin-1-yl)-2-(2-benzylphenoxy)ethanone (CID 7936761) is 1-(4-benzoylpiperazin-1-yl)-2-(2-benzylphenoxy)ethanone.
What is the SMILES notation for 1-(4-benzoylpiperazin-1-yl)-2-(2-benzylphenoxy)ethanone?
The canonical SMILES for 1-(4-benzoylpiperazin-1-yl)-2-(2-benzylphenoxy)ethanone is O=C(COc1ccccc1Cc1ccccc1)N1CCN(C(=O)c2ccccc2)CC1.
What is the InChIKey of 1-(4-benzoylpiperazin-1-yl)-2-(2-benzylphenoxy)ethanone?
The InChIKey is WWVDRDBFLYXLPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N2O3/c29-25(27-15-17-28(18-16-27)26(30)22-11-5-2-6-12-22)20-31-24-14-8-7-13-23(24)19-21-9-3-1-4-10-21/h1-14H,15-20H2.
What are the key properties of 1-(4-benzoylpiperazin-1-yl)-2-(2-benzylphenoxy)ethanone?
1-(4-benzoylpiperazin-1-yl)-2-(2-benzylphenoxy)ethanone has a molecular weight of 414.51 g/mol, XLogP of 3.64, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-benzoylpiperazin-1-yl)-2-(2-benzylphenoxy)ethanone is sourced from PubChem (CID 7936761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).