2-(4-acetyl-2-methoxyphenoxy)-1-[4-(3-methylphenyl)piperazin-1-yl]ethanone

C22H26N2O4 — CID 27041250

IUPAC2-(4-acetyl-2-methoxyphenoxy)-1-[4-(3-methylphenyl)piperazin-1-yl]ethanone
SMILESCOc1cc(C(C)=O)ccc1OCC(=O)N1CCN(c2cccc(C)c2)CC1
InChIInChI=1S/C22H26N2O4/c1-16-5-4-6-19(13-16)23-9-11-24(12-10-23)22(26)15-28-20-8-7-18(17(2)25)14-21(20)27-3/h4-8,13-14H,9-12,15H2,1-3H3
InChIKeyAPSNLYDIWQCVDI-UHFFFAOYSA-N
MW382.46 g/mol
LogP2.93
Rot. Bonds6

About 2-(4-acetyl-2-methoxyphenoxy)-1-[4-(3-methylphenyl)piperazin-1-yl]ethanone

2-(4-acetyl-2-methoxyphenoxy)-1-[4-(3-methylphenyl)piperazin-1-yl]ethanone (PubChem CID 27041250) has the molecular formula C22H26N2O4 and a molecular weight of 382.46 g/mol. Its IUPAC name is 2-(4-acetyl-2-methoxyphenoxy)-1-[4-(3-methylphenyl)piperazin-1-yl]ethanone.

Molecular Properties

Compound Name2-(4-acetyl-2-methoxyphenoxy)-1-[4-(3-methylphenyl)piperazin-1-yl]ethanone
PubChem CID27041250
Molecular FormulaC22H26N2O4
Molecular Weight382.46 g/mol
Exact Mass382.19
IUPAC Name2-(4-acetyl-2-methoxyphenoxy)-1-[4-(3-methylphenyl)piperazin-1-yl]ethanone
SMILESCOc1cc(C(C)=O)ccc1OCC(=O)N1CCN(c2cccc(C)c2)CC1
InChIInChI=1S/C22H26N2O4/c1-16-5-4-6-19(13-16)23-9-11-24(12-10-23)22(26)15-28-20-8-7-18(17(2)25)14-21(20)27-3/h4-8,13-14H,9-12,15H2,1-3H3
InChIKeyAPSNLYDIWQCVDI-UHFFFAOYSA-N
XLogP2.93
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.46
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-chloro-2-methylphenoxy)-1-[4-(3-methylphenyl)piperazin-1-yl]ethanone
CID 18120423
2-(2-fluorophenoxy)-1-[4-(3-methylphenyl)piperazin-1-yl]ethanone
CID 110756055
2-[2-methoxy-4-[4-(3-methylphenyl)piperazine-1-carbonyl]phenoxy]-N-(2-methoxyphenyl)acetamide
CID 46649792
2-(4-benzoylphenoxy)-1-[4-(3-methylphenyl)piperazin-1-yl]ethanone
CID 41162791
2-(2-methoxyphenoxy)-1-(4-phenylpiperazin-1-yl)ethanone
CID 823385
4-(4-acetyl-2-methoxyphenoxy)-1-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]butan-1-one
CID 55740540
2-(3,4-dimethoxyanilino)-1-[4-(3-methylphenyl)piperazin-1-yl]ethanone
CID 109004058
2-(4-bromophenoxy)-1-[4-(3-methylphenyl)piperazin-1-yl]ethanone
CID 18120422
1-[4-(4-acetyl-2-fluorophenyl)piperazin-1-yl]-2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]ethanone
CID 26959594
2-(2-methoxy-4-methylphenoxy)-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone
CID 18104765
2-(4-acetyl-2-methoxyphenoxy)-1-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]ethanone
CID 27972483
[4-(3-methylphenyl)piperazin-1-yl]-(2,4,5-trimethoxyphenyl)methanone
CID 27040790

Frequently Asked Questions

What is the IUPAC name of 2-(4-acetyl-2-methoxyphenoxy)-1-[4-(3-methylphenyl)piperazin-1-yl]ethanone?
The IUPAC name of 2-(4-acetyl-2-methoxyphenoxy)-1-[4-(3-methylphenyl)piperazin-1-yl]ethanone (CID 27041250) is 2-(4-acetyl-2-methoxyphenoxy)-1-[4-(3-methylphenyl)piperazin-1-yl]ethanone.
What is the SMILES notation for 2-(4-acetyl-2-methoxyphenoxy)-1-[4-(3-methylphenyl)piperazin-1-yl]ethanone?
The canonical SMILES for 2-(4-acetyl-2-methoxyphenoxy)-1-[4-(3-methylphenyl)piperazin-1-yl]ethanone is COc1cc(C(C)=O)ccc1OCC(=O)N1CCN(c2cccc(C)c2)CC1.
What is the InChIKey of 2-(4-acetyl-2-methoxyphenoxy)-1-[4-(3-methylphenyl)piperazin-1-yl]ethanone?
The InChIKey is APSNLYDIWQCVDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O4/c1-16-5-4-6-19(13-16)23-9-11-24(12-10-23)22(26)15-28-20-8-7-18(17(2)25)14-21(20)27-3/h4-8,13-14H,9-12,15H2,1-3H3.
What are the key properties of 2-(4-acetyl-2-methoxyphenoxy)-1-[4-(3-methylphenyl)piperazin-1-yl]ethanone?
2-(4-acetyl-2-methoxyphenoxy)-1-[4-(3-methylphenyl)piperazin-1-yl]ethanone has a molecular weight of 382.46 g/mol, XLogP of 2.93, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-acetyl-2-methoxyphenoxy)-1-[4-(3-methylphenyl)piperazin-1-yl]ethanone is sourced from PubChem (CID 27041250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).