2-(2-methoxyphenoxy)-1-(2,5,5-trimethylpiperazin-1-yl)ethanone

C16H24N2O3 — CID 82251019

IUPAC2-(2-methoxyphenoxy)-1-(2,5,5-trimethylpiperazin-1-yl)ethanone
SMILESCOc1ccccc1OCC(=O)N1CC(C)(C)NCC1C
InChIInChI=1S/C16H24N2O3/c1-12-9-17-16(2,3)11-18(12)15(19)10-21-14-8-6-5-7-13(14)20-4/h5-8,12,17H,9-11H2,1-4H3
InChIKeyXXJNICXCGKLIED-UHFFFAOYSA-N
MW292.38 g/mol
LogP1.67
Rot. Bonds4

About 2-(2-methoxyphenoxy)-1-(2,5,5-trimethylpiperazin-1-yl)ethanone

2-(2-methoxyphenoxy)-1-(2,5,5-trimethylpiperazin-1-yl)ethanone (PubChem CID 82251019) has the molecular formula C16H24N2O3 and a molecular weight of 292.38 g/mol. Its IUPAC name is 2-(2-methoxyphenoxy)-1-(2,5,5-trimethylpiperazin-1-yl)ethanone.

Molecular Properties

Compound Name2-(2-methoxyphenoxy)-1-(2,5,5-trimethylpiperazin-1-yl)ethanone
PubChem CID82251019
Molecular FormulaC16H24N2O3
Molecular Weight292.38 g/mol
Exact Mass292.18
IUPAC Name2-(2-methoxyphenoxy)-1-(2,5,5-trimethylpiperazin-1-yl)ethanone
SMILESCOc1ccccc1OCC(=O)N1CC(C)(C)NCC1C
InChIInChI=1S/C16H24N2O3/c1-12-9-17-16(2,3)11-18(12)15(19)10-21-14-8-6-5-7-13(14)20-4/h5-8,12,17H,9-11H2,1-4H3
InChIKeyXXJNICXCGKLIED-UHFFFAOYSA-N
XLogP1.67
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-methoxyphenoxy)-1-(2-methylpiperazin-1-yl)ethanone;hydrochloride
CID 119469956
1-[(4aS,9aS)-4a-methyl-3,4,5,6,7,8,9,9a-octahydro-2H-pyrido[3,2-b]azepin-1-yl]-2-(2-methoxyphenoxy)ethanone
CID 110140771
(2S)-4-hydroxy-1-[2-(2-methoxyphenoxy)acetyl]pyrrolidine-2-carboxylic acid
CID 61153100
1-[4-(2-methoxyethyl)-3,5-dimethylpiperazin-1-yl]-2-(2-methoxyphenoxy)ethanone
CID 110290223
(2S,4R)-4-hydroxy-1-[2-(2-methoxyphenoxy)acetyl]pyrrolidine-2-carboxylic acid
CID 63855651
2-(2-chlorophenoxy)-1-(2-methylpiperazin-1-yl)ethanone
CID 119471869
(1S,5R)-3-[2-(2-methoxyphenoxy)acetyl]-3-azabicyclo[3.1.0]hexane-1,5-dicarboxylic acid
CID 135113397
1-(2,2-dimethylmorpholin-4-yl)-2-(2-methoxyphenoxy)ethanone
CID 86981388
1-[(3S)-3-ethyl-3-methylpyrrolidin-1-yl]-2-(2-methoxyphenoxy)ethanone
CID 97026017
1-[(4aS,7aR)-1-methyl-6,6-dioxo-2,3,4a,5,7,7a-hexahydrothieno[3,4-b]pyrazin-4-yl]-2-(2-methoxyphenoxy)ethanone
CID 133125406
1-[2-(2-chlorophenyl)piperazin-1-yl]-2-(2-methoxyphenoxy)ethanone
CID 120738744
1-[(3aR,4S,6aS)-4-phenyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-2-(2-methoxyphenoxy)ethanone;hydrochloride
CID 171713391

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyphenoxy)-1-(2,5,5-trimethylpiperazin-1-yl)ethanone?
The IUPAC name of 2-(2-methoxyphenoxy)-1-(2,5,5-trimethylpiperazin-1-yl)ethanone (CID 82251019) is 2-(2-methoxyphenoxy)-1-(2,5,5-trimethylpiperazin-1-yl)ethanone.
What is the SMILES notation for 2-(2-methoxyphenoxy)-1-(2,5,5-trimethylpiperazin-1-yl)ethanone?
The canonical SMILES for 2-(2-methoxyphenoxy)-1-(2,5,5-trimethylpiperazin-1-yl)ethanone is COc1ccccc1OCC(=O)N1CC(C)(C)NCC1C.
What is the InChIKey of 2-(2-methoxyphenoxy)-1-(2,5,5-trimethylpiperazin-1-yl)ethanone?
The InChIKey is XXJNICXCGKLIED-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O3/c1-12-9-17-16(2,3)11-18(12)15(19)10-21-14-8-6-5-7-13(14)20-4/h5-8,12,17H,9-11H2,1-4H3.
What are the key properties of 2-(2-methoxyphenoxy)-1-(2,5,5-trimethylpiperazin-1-yl)ethanone?
2-(2-methoxyphenoxy)-1-(2,5,5-trimethylpiperazin-1-yl)ethanone has a molecular weight of 292.38 g/mol, XLogP of 1.67, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyphenoxy)-1-(2,5,5-trimethylpiperazin-1-yl)ethanone is sourced from PubChem (CID 82251019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).