2-(5-tert-butyl-2-methoxyphenyl)-1-(4-methylpiperazin-1-yl)ethanone

C18H28N2O2 — CID 110767353

IUPAC2-(5-tert-butyl-2-methoxyphenyl)-1-(4-methylpiperazin-1-yl)ethanone
SMILESCOc1ccc(C(C)(C)C)cc1CC(=O)N1CCN(C)CC1
InChIInChI=1S/C18H28N2O2/c1-18(2,3)15-6-7-16(22-5)14(12-15)13-17(21)20-10-8-19(4)9-11-20/h6-7,12H,8-11,13H2,1-5H3
InChIKeyPKFJKDSXULYLBN-UHFFFAOYSA-N
MW304.43 g/mol
LogP2.31
Rot. Bonds3

About 2-(5-tert-butyl-2-methoxyphenyl)-1-(4-methylpiperazin-1-yl)ethanone

2-(5-tert-butyl-2-methoxyphenyl)-1-(4-methylpiperazin-1-yl)ethanone (PubChem CID 110767353) has the molecular formula C18H28N2O2 and a molecular weight of 304.43 g/mol. Its IUPAC name is 2-(5-tert-butyl-2-methoxyphenyl)-1-(4-methylpiperazin-1-yl)ethanone.

Molecular Properties

Compound Name2-(5-tert-butyl-2-methoxyphenyl)-1-(4-methylpiperazin-1-yl)ethanone
PubChem CID110767353
Molecular FormulaC18H28N2O2
Molecular Weight304.43 g/mol
Exact Mass304.22
IUPAC Name2-(5-tert-butyl-2-methoxyphenyl)-1-(4-methylpiperazin-1-yl)ethanone
SMILESCOc1ccc(C(C)(C)C)cc1CC(=O)N1CCN(C)CC1
InChIInChI=1S/C18H28N2O2/c1-18(2,3)15-6-7-16(22-5)14(12-15)13-17(21)20-10-8-19(4)9-11-20/h6-7,12H,8-11,13H2,1-5H3
InChIKeyPKFJKDSXULYLBN-UHFFFAOYSA-N
XLogP2.31
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.43
LogP ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(5-tert-butyl-2-methoxyphenyl)-1-piperazin-1-ylethanone
CID 82134931
2-(3,4-dimethoxyphenyl)-1-(4-methylpiperazin-1-yl)ethanone chloride
CID 53346891
1-(4-acetylpiperazin-1-yl)-2-(5-fluoro-2-methoxyphenyl)ethanone
CID 110767129
1-(4-acetylpiperazin-1-yl)-2-(2,5-dimethoxyphenyl)ethanone
CID 78821506
2-(3-chloro-4-methoxyphenyl)-1-(4-methylpiperazin-1-yl)ethanone
CID 110767033
2-(2,5-dimethoxyphenyl)-1-pyrrolidin-1-ylethanone
CID 30147939
sodium 2-(5-tert-butyl-2-methoxyphenyl)acetate
CID 18684898
2-(2,5-dimethoxyphenyl)-1-piperidin-1-ylethanone
CID 30147943
methyl 4-[2-(2,5-dimethoxyphenyl)acetyl]piperazine-1-carboxylate
CID 110803371
2-(2,4-dimethoxyphenyl)-1-(4-methyl-1,4-diazepan-1-yl)ethanone
CID 39948329
2-(5-tert-butyl-2-methoxyphenyl)acetohydrazide
CID 116843348
2-(2-methoxy-5-methylphenyl)-1-piperidin-1-ylethanone
CID 60667529

Frequently Asked Questions

What is the IUPAC name of 2-(5-tert-butyl-2-methoxyphenyl)-1-(4-methylpiperazin-1-yl)ethanone?
The IUPAC name of 2-(5-tert-butyl-2-methoxyphenyl)-1-(4-methylpiperazin-1-yl)ethanone (CID 110767353) is 2-(5-tert-butyl-2-methoxyphenyl)-1-(4-methylpiperazin-1-yl)ethanone.
What is the SMILES notation for 2-(5-tert-butyl-2-methoxyphenyl)-1-(4-methylpiperazin-1-yl)ethanone?
The canonical SMILES for 2-(5-tert-butyl-2-methoxyphenyl)-1-(4-methylpiperazin-1-yl)ethanone is COc1ccc(C(C)(C)C)cc1CC(=O)N1CCN(C)CC1.
What is the InChIKey of 2-(5-tert-butyl-2-methoxyphenyl)-1-(4-methylpiperazin-1-yl)ethanone?
The InChIKey is PKFJKDSXULYLBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O2/c1-18(2,3)15-6-7-16(22-5)14(12-15)13-17(21)20-10-8-19(4)9-11-20/h6-7,12H,8-11,13H2,1-5H3.
What are the key properties of 2-(5-tert-butyl-2-methoxyphenyl)-1-(4-methylpiperazin-1-yl)ethanone?
2-(5-tert-butyl-2-methoxyphenyl)-1-(4-methylpiperazin-1-yl)ethanone has a molecular weight of 304.43 g/mol, XLogP of 2.31, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-tert-butyl-2-methoxyphenyl)-1-(4-methylpiperazin-1-yl)ethanone is sourced from PubChem (CID 110767353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).