2-(2,6-dimethoxyphenyl)-1-(3-methylpiperazin-1-yl)ethanone

C15H22N2O3 — CID 119579172

IUPAC2-(2,6-dimethoxyphenyl)-1-(3-methylpiperazin-1-yl)ethanone
SMILESCOc1cccc(OC)c1CC(=O)N1CCNC(C)C1
InChIInChI=1S/C15H22N2O3/c1-11-10-17(8-7-16-11)15(18)9-12-13(19-2)5-4-6-14(12)20-3/h4-6,11,16H,7-10H2,1-3H3
InChIKeyQHYBKJUIYMBSOZ-UHFFFAOYSA-N
MW278.35 g/mol
LogP1.07
Rot. Bonds4

About 2-(2,6-dimethoxyphenyl)-1-(3-methylpiperazin-1-yl)ethanone

2-(2,6-dimethoxyphenyl)-1-(3-methylpiperazin-1-yl)ethanone (PubChem CID 119579172) has the molecular formula C15H22N2O3 and a molecular weight of 278.35 g/mol. Its IUPAC name is 2-(2,6-dimethoxyphenyl)-1-(3-methylpiperazin-1-yl)ethanone.

Molecular Properties

Compound Name2-(2,6-dimethoxyphenyl)-1-(3-methylpiperazin-1-yl)ethanone
PubChem CID119579172
Molecular FormulaC15H22N2O3
Molecular Weight278.35 g/mol
Exact Mass278.16
IUPAC Name2-(2,6-dimethoxyphenyl)-1-(3-methylpiperazin-1-yl)ethanone
SMILESCOc1cccc(OC)c1CC(=O)N1CCNC(C)C1
InChIInChI=1S/C15H22N2O3/c1-11-10-17(8-7-16-11)15(18)9-12-13(19-2)5-4-6-14(12)20-3/h4-6,11,16H,7-10H2,1-3H3
InChIKeyQHYBKJUIYMBSOZ-UHFFFAOYSA-N
XLogP1.07
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2,6-dimethoxyphenyl)-[(3S)-3-methylpiperazin-1-yl]methanone
CID 81428792
2-(2-methoxyanilino)-1-(3-methylpiperazin-1-yl)ethanone
CID 119577129
2-(4-bromo-2-methoxyphenyl)-1-(3-methylpiperazin-1-yl)ethanone
CID 176516337
2-(2,5-dimethoxyphenyl)-1-(3-methylpiperazin-1-yl)ethanone;hydrochloride
CID 119578268
2-(3-bromo-4-methoxyphenyl)-1-(3-methylpiperazin-1-yl)ethanone
CID 84607778
2-(4-methoxyphenyl)-1-(3-methylpiperazin-1-yl)ethanone;hydrochloride
CID 119577033
2-(2-hydroxyphenyl)-1-[(3S)-3-methylpiperazin-1-yl]ethanone
CID 81427817
(2-methoxyphenyl)-(3-methylpiperazin-1-yl)methanone
CID 50999804
2-(2-ethylphenoxy)-1-[(3S)-3-methylpiperazin-1-yl]ethanone
CID 124684295
1-(3-aminopiperidin-1-yl)-2-(2,6-dimethoxyphenyl)ethanone;hydrochloride
CID 119380108
2-(2-ethylphenoxy)-1-[(3R)-3-methylpiperazin-1-yl]ethanone
CID 124620495
2-(2-chlorophenyl)-1-(3-methylpiperazin-1-yl)ethanone
CID 65449559

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dimethoxyphenyl)-1-(3-methylpiperazin-1-yl)ethanone?
The IUPAC name of 2-(2,6-dimethoxyphenyl)-1-(3-methylpiperazin-1-yl)ethanone (CID 119579172) is 2-(2,6-dimethoxyphenyl)-1-(3-methylpiperazin-1-yl)ethanone.
What is the SMILES notation for 2-(2,6-dimethoxyphenyl)-1-(3-methylpiperazin-1-yl)ethanone?
The canonical SMILES for 2-(2,6-dimethoxyphenyl)-1-(3-methylpiperazin-1-yl)ethanone is COc1cccc(OC)c1CC(=O)N1CCNC(C)C1.
What is the InChIKey of 2-(2,6-dimethoxyphenyl)-1-(3-methylpiperazin-1-yl)ethanone?
The InChIKey is QHYBKJUIYMBSOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3/c1-11-10-17(8-7-16-11)15(18)9-12-13(19-2)5-4-6-14(12)20-3/h4-6,11,16H,7-10H2,1-3H3.
What are the key properties of 2-(2,6-dimethoxyphenyl)-1-(3-methylpiperazin-1-yl)ethanone?
2-(2,6-dimethoxyphenyl)-1-(3-methylpiperazin-1-yl)ethanone has a molecular weight of 278.35 g/mol, XLogP of 1.07, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-dimethoxyphenyl)-1-(3-methylpiperazin-1-yl)ethanone is sourced from PubChem (CID 119579172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).