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

C16H24N2O2 — CID 110769302

IUPAC2-(2-methoxy-3,5-dimethylphenyl)-1-(4-methylpiperazin-1-yl)ethanone
SMILESCOc1c(C)cc(C)cc1CC(=O)N1CCN(C)CC1
InChIInChI=1S/C16H24N2O2/c1-12-9-13(2)16(20-4)14(10-12)11-15(19)18-7-5-17(3)6-8-18/h9-10H,5-8,11H2,1-4H3
InChIKeyYPDBIGSMFJIZTB-UHFFFAOYSA-N
MW276.38 g/mol
LogP1.63
Rot. Bonds3

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

2-(2-methoxy-3,5-dimethylphenyl)-1-(4-methylpiperazin-1-yl)ethanone (PubChem CID 110769302) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is 2-(2-methoxy-3,5-dimethylphenyl)-1-(4-methylpiperazin-1-yl)ethanone.

Molecular Properties

Compound Name2-(2-methoxy-3,5-dimethylphenyl)-1-(4-methylpiperazin-1-yl)ethanone
PubChem CID110769302
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC Name2-(2-methoxy-3,5-dimethylphenyl)-1-(4-methylpiperazin-1-yl)ethanone
SMILESCOc1c(C)cc(C)cc1CC(=O)N1CCN(C)CC1
InChIInChI=1S/C16H24N2O2/c1-12-9-13(2)16(20-4)14(10-12)11-15(19)18-7-5-17(3)6-8-18/h9-10H,5-8,11H2,1-4H3
InChIKeyYPDBIGSMFJIZTB-UHFFFAOYSA-N
XLogP1.63
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 51.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(2-methoxy-3,5-dimethylphenyl)acetyl]piperidin-4-one
CID 98019322
4-[2-(2-methoxy-3,5-dimethylphenyl)acetyl]-N-propyl-1,4-diazepane-1-carboxamide
CID 110813893
1-[4-[2-(2-methoxy-3,5-dimethylphenyl)acetyl]piperazin-1-yl]-2-(1H-pyrrol-2-yl)ethanone
CID 110815924
1-(4-ethylsulfonyl-1,4-diazepan-1-yl)-2-(2-methoxy-3,5-dimethylphenyl)ethanone
CID 110810167
1-(4-acetylpiperazin-1-yl)-2-(3-tert-butyl-2-methoxy-5-methylphenyl)ethanone
CID 110769579
2-(2-methoxy-3,5-dimethylphenyl)acetamide
CID 82491159
1-(2-methoxy-3,5-dimethylphenyl)-2-(4-methylpiperazin-1-yl)ethanone
CID 93193340
2-(2,4,6-trimethylphenoxy)-1-[4-[2-(2,4,6-trimethylphenoxy)acetyl]piperazin-1-yl]ethanone
CID 1281511
1-(4-methyl-1,4-diazepan-1-yl)-2-(3,4,5-trimethoxyphenyl)ethanone
CID 78769321
4-[2-(3-tert-butyl-2-methoxy-5-methylphenyl)acetyl]piperazine-1-carbaldehyde
CID 110769578
1-[4-(cyclopropanecarbonyl)piperazin-1-yl]-2-(4-methoxy-2,3,5-trimethylphenyl)ethanone
CID 110800548
ethane;1-ethyl-2-methoxy-3,5-dimethylbenzene
CID 169219679

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxy-3,5-dimethylphenyl)-1-(4-methylpiperazin-1-yl)ethanone?
The IUPAC name of 2-(2-methoxy-3,5-dimethylphenyl)-1-(4-methylpiperazin-1-yl)ethanone (CID 110769302) is 2-(2-methoxy-3,5-dimethylphenyl)-1-(4-methylpiperazin-1-yl)ethanone.
What is the SMILES notation for 2-(2-methoxy-3,5-dimethylphenyl)-1-(4-methylpiperazin-1-yl)ethanone?
The canonical SMILES for 2-(2-methoxy-3,5-dimethylphenyl)-1-(4-methylpiperazin-1-yl)ethanone is COc1c(C)cc(C)cc1CC(=O)N1CCN(C)CC1.
What is the InChIKey of 2-(2-methoxy-3,5-dimethylphenyl)-1-(4-methylpiperazin-1-yl)ethanone?
The InChIKey is YPDBIGSMFJIZTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-12-9-13(2)16(20-4)14(10-12)11-15(19)18-7-5-17(3)6-8-18/h9-10H,5-8,11H2,1-4H3.
What are the key properties of 2-(2-methoxy-3,5-dimethylphenyl)-1-(4-methylpiperazin-1-yl)ethanone?
2-(2-methoxy-3,5-dimethylphenyl)-1-(4-methylpiperazin-1-yl)ethanone has a molecular weight of 276.38 g/mol, XLogP of 1.63, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxy-3,5-dimethylphenyl)-1-(4-methylpiperazin-1-yl)ethanone is sourced from PubChem (CID 110769302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).