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

C20H22N2O3 — CID 35741660

IUPAC1-(4-acetylpiperazin-1-yl)-2-(2-phenylphenoxy)ethanone
SMILESCC(=O)N1CCN(C(=O)COc2ccccc2-c2ccccc2)CC1
InChIInChI=1S/C20H22N2O3/c1-16(23)21-11-13-22(14-12-21)20(24)15-25-19-10-6-5-9-18(19)17-7-3-2-4-8-17/h2-10H,11-15H2,1H3
InChIKeyBYDWLHUEXXZLOJ-UHFFFAOYSA-N
MW338.41 g/mol
LogP2.42
Rot. Bonds4

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

1-(4-acetylpiperazin-1-yl)-2-(2-phenylphenoxy)ethanone (PubChem CID 35741660) has the molecular formula C20H22N2O3 and a molecular weight of 338.41 g/mol. Its IUPAC name is 1-(4-acetylpiperazin-1-yl)-2-(2-phenylphenoxy)ethanone.

Molecular Properties

Compound Name1-(4-acetylpiperazin-1-yl)-2-(2-phenylphenoxy)ethanone
PubChem CID35741660
Molecular FormulaC20H22N2O3
Molecular Weight338.41 g/mol
Exact Mass338.16
IUPAC Name1-(4-acetylpiperazin-1-yl)-2-(2-phenylphenoxy)ethanone
SMILESCC(=O)N1CCN(C(=O)COc2ccccc2-c2ccccc2)CC1
InChIInChI=1S/C20H22N2O3/c1-16(23)21-11-13-22(14-12-21)20(24)15-25-19-10-6-5-9-18(19)17-7-3-2-4-8-17/h2-10H,11-15H2,1H3
InChIKeyBYDWLHUEXXZLOJ-UHFFFAOYSA-N
XLogP2.42
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.41
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N,N-dimethyl-1-[2-(2-phenylphenoxy)acetyl]piperidine-4-carboxamide
CID 78779545
1-(4-acetylpiperazin-1-yl)-2-[2-(1,3-thiazol-4-yl)phenoxy]ethanone
CID 57096120
1-(4-acetylpiperazin-1-yl)-2-(2-benzylphenoxy)ethanone
CID 78767258
1-(4-acetylpiperazin-1-yl)-2-(2-propan-2-ylphenoxy)ethanone
CID 112977426
1-(3-methylpiperazin-1-yl)-2-(2-phenylphenoxy)ethanone;hydrochloride
CID 119576784
2-(2-phenylphenoxy)-1-[4-(thiophen-3-ylmethyl)piperazin-1-yl]ethanone
CID 9180756
2-(2-phenylphenoxy)-1-[4-[4-(trifluoromethyl)benzoyl]piperazin-1-yl]ethanone
CID 46423310
1-[4-(4-nitrophenyl)piperazin-1-yl]-2-(2-phenylphenoxy)ethanone
CID 7921184
4-[2-[1-[2-(2-phenylphenoxy)acetyl]piperidin-4-yl]ethyl]benzoic acid
CID 140911738
1-(4-acetylpiperazin-1-yl)-2-[[4-(2-phenylphenoxy)phenyl]methylsulfanyl]ethanone
CID 11676972
2-(2-phenylphenoxy)-1-[4-(thiophen-3-ylmethyl)piperazin-4-ium-1-yl]ethanone
CID 9180755
2-[4-[2-(2-methoxyphenoxy)acetyl]piperazin-1-yl]-2-oxoacetic acid
CID 2050367

Frequently Asked Questions

What is the IUPAC name of 1-(4-acetylpiperazin-1-yl)-2-(2-phenylphenoxy)ethanone?
The IUPAC name of 1-(4-acetylpiperazin-1-yl)-2-(2-phenylphenoxy)ethanone (CID 35741660) is 1-(4-acetylpiperazin-1-yl)-2-(2-phenylphenoxy)ethanone.
What is the SMILES notation for 1-(4-acetylpiperazin-1-yl)-2-(2-phenylphenoxy)ethanone?
The canonical SMILES for 1-(4-acetylpiperazin-1-yl)-2-(2-phenylphenoxy)ethanone is CC(=O)N1CCN(C(=O)COc2ccccc2-c2ccccc2)CC1.
What is the InChIKey of 1-(4-acetylpiperazin-1-yl)-2-(2-phenylphenoxy)ethanone?
The InChIKey is BYDWLHUEXXZLOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O3/c1-16(23)21-11-13-22(14-12-21)20(24)15-25-19-10-6-5-9-18(19)17-7-3-2-4-8-17/h2-10H,11-15H2,1H3.
What are the key properties of 1-(4-acetylpiperazin-1-yl)-2-(2-phenylphenoxy)ethanone?
1-(4-acetylpiperazin-1-yl)-2-(2-phenylphenoxy)ethanone has a molecular weight of 338.41 g/mol, XLogP of 2.42, 4 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-phenylphenoxy)ethanone is sourced from PubChem (CID 35741660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).