1-(2-methoxy-3,5-dimethylphenyl)-2-(4-methylpiperazin-1-yl)ethanone

C16H24N2O2 — CID 93193340

IUPAC1-(2-methoxy-3,5-dimethylphenyl)-2-(4-methylpiperazin-1-yl)ethanone
SMILESCOc1c(C)cc(C)cc1C(=O)CN1CCN(C)CC1
InChIInChI=1S/C16H24N2O2/c1-12-9-13(2)16(20-4)14(10-12)15(19)11-18-7-5-17(3)6-8-18/h9-10H,5-8,11H2,1-4H3
InChIKeyMPQBBEIPPFARCW-UHFFFAOYSA-N
MW276.38 g/mol
LogP1.74
Rot. Bonds4

About 1-(2-methoxy-3,5-dimethylphenyl)-2-(4-methylpiperazin-1-yl)ethanone

1-(2-methoxy-3,5-dimethylphenyl)-2-(4-methylpiperazin-1-yl)ethanone (PubChem CID 93193340) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is 1-(2-methoxy-3,5-dimethylphenyl)-2-(4-methylpiperazin-1-yl)ethanone.

Molecular Properties

Compound Name1-(2-methoxy-3,5-dimethylphenyl)-2-(4-methylpiperazin-1-yl)ethanone
PubChem CID93193340
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC Name1-(2-methoxy-3,5-dimethylphenyl)-2-(4-methylpiperazin-1-yl)ethanone
SMILESCOc1c(C)cc(C)cc1C(=O)CN1CCN(C)CC1
InChIInChI=1S/C16H24N2O2/c1-12-9-13(2)16(20-4)14(10-12)15(19)11-18-7-5-17(3)6-8-18/h9-10H,5-8,11H2,1-4H3
InChIKeyMPQBBEIPPFARCW-UHFFFAOYSA-N
XLogP1.74
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 51.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3,5-dimethylpiperidin-1-yl)-1-(2-methoxy-3,5-dimethylphenyl)ethanone
CID 82053182
1-(2-methoxy-4-methylphenyl)-2-(4-methylpiperazin-1-yl)ethanone
CID 43794429
2-(4-methylpiperazin-1-yl)-1-(3,4,5-trimethoxyphenyl)ethanone
CID 13306108
2-(2-methoxy-3,5-dimethylphenyl)-1-(4-methylpiperazin-1-yl)ethanone
CID 110769302
1-(4-hydroxy-2,3,5-trimethylphenyl)-2-(4-methylpiperazin-1-yl)ethanone
CID 170862015
1-(2,4-dimethoxyphenyl)-2-(4-methylpiperazin-1-yl)ethanone
CID 93191408
2-(4-methylpiperazin-1-yl)-1-(5-methyl-2-propan-2-yloxyphenyl)ethanone
CID 93192786
1-(2-hydroxy-3,4,6-trimethoxyphenyl)-2-(4-methylpiperazin-1-yl)ethanone
CID 170861684
1-(2,5-dimethylfuran-3-yl)-2-(4-methylpiperazin-1-yl)ethanone
CID 170861107
2-(3,4-dihydro-1H-isoquinolin-2-yl)-1-(2-ethoxy-3,5-dimethylphenyl)ethanone
CID 82053217
1-(4-bromo-2-hydroxy-5-methylphenyl)-2-(4-methylpiperazin-1-yl)ethanone
CID 170862157
1-(2-butoxy-5-methylphenyl)-2-(4-methylpiperazin-1-yl)ethanone
CID 93192756

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxy-3,5-dimethylphenyl)-2-(4-methylpiperazin-1-yl)ethanone?
The IUPAC name of 1-(2-methoxy-3,5-dimethylphenyl)-2-(4-methylpiperazin-1-yl)ethanone (CID 93193340) is 1-(2-methoxy-3,5-dimethylphenyl)-2-(4-methylpiperazin-1-yl)ethanone.
What is the SMILES notation for 1-(2-methoxy-3,5-dimethylphenyl)-2-(4-methylpiperazin-1-yl)ethanone?
The canonical SMILES for 1-(2-methoxy-3,5-dimethylphenyl)-2-(4-methylpiperazin-1-yl)ethanone is COc1c(C)cc(C)cc1C(=O)CN1CCN(C)CC1.
What is the InChIKey of 1-(2-methoxy-3,5-dimethylphenyl)-2-(4-methylpiperazin-1-yl)ethanone?
The InChIKey is MPQBBEIPPFARCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-12-9-13(2)16(20-4)14(10-12)15(19)11-18-7-5-17(3)6-8-18/h9-10H,5-8,11H2,1-4H3.
What are the key properties of 1-(2-methoxy-3,5-dimethylphenyl)-2-(4-methylpiperazin-1-yl)ethanone?
1-(2-methoxy-3,5-dimethylphenyl)-2-(4-methylpiperazin-1-yl)ethanone has a molecular weight of 276.38 g/mol, XLogP of 1.74, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxy-3,5-dimethylphenyl)-2-(4-methylpiperazin-1-yl)ethanone is sourced from PubChem (CID 93193340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).