1-(4-methoxyphenyl)-2-(3,3,4-trimethylpiperazin-1-yl)ethanone

C16H24N2O2 — CID 63633759

IUPAC1-(4-methoxyphenyl)-2-(3,3,4-trimethylpiperazin-1-yl)ethanone
SMILESCOc1ccc(C(=O)CN2CCN(C)C(C)(C)C2)cc1
InChIInChI=1S/C16H24N2O2/c1-16(2)12-18(10-9-17(16)3)11-15(19)13-5-7-14(20-4)8-6-13/h5-8H,9-12H2,1-4H3
InChIKeyZHDCLGQWXRVZOT-UHFFFAOYSA-N
MW276.38 g/mol
LogP1.90
Rot. Bonds4

About 1-(4-methoxyphenyl)-2-(3,3,4-trimethylpiperazin-1-yl)ethanone

1-(4-methoxyphenyl)-2-(3,3,4-trimethylpiperazin-1-yl)ethanone (PubChem CID 63633759) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is 1-(4-methoxyphenyl)-2-(3,3,4-trimethylpiperazin-1-yl)ethanone.

Molecular Properties

Compound Name1-(4-methoxyphenyl)-2-(3,3,4-trimethylpiperazin-1-yl)ethanone
PubChem CID63633759
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC Name1-(4-methoxyphenyl)-2-(3,3,4-trimethylpiperazin-1-yl)ethanone
SMILESCOc1ccc(C(=O)CN2CCN(C)C(C)(C)C2)cc1
InChIInChI=1S/C16H24N2O2/c1-16(2)12-18(10-9-17(16)3)11-15(19)13-5-7-14(20-4)8-6-13/h5-8H,9-12H2,1-4H3
InChIKeyZHDCLGQWXRVZOT-UHFFFAOYSA-N
XLogP1.90
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 ≤ 51.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-bromo-4-methoxyphenyl)-2-(3,3,4-trimethylpiperazin-1-yl)ethanone
CID 63634797
1-(3,4-dimethylphenyl)-2-(3,3,4-trimethylpiperazin-1-yl)ethanone
CID 63635500
1-(3,4-difluorophenyl)-2-(3,3,4-trimethylpiperazin-1-yl)ethanone
CID 63634971
2-[4-(2-hydroxyethyl)piperazin-1-yl]-1-(4-methoxyphenyl)ethanone
CID 62025523
1-(1,3-benzodioxol-5-yl)-2-(3,3,4-trimethylpiperazin-1-yl)ethanone
CID 63635151
1-(2-methoxy-4-methylphenyl)-2-(3,3,4-trimethylpiperazin-1-yl)ethanone
CID 63634972
1-(4-methoxyphenyl)-2-[4-(2-methylpropyl)piperazin-1-yl]ethanone
CID 62777262
1-(4-methoxyphenyl)-2-[4-[2-(4-methylpiperazin-1-yl)acetyl]phenyl]ethanone
CID 170862014
1-(4-methylphenyl)-3-(3,3,4-trimethylpiperazin-1-yl)propan-1-one
CID 63634955
2-(3-hydroxyazetidin-1-yl)-1-(4-methoxyphenyl)ethanone
CID 121200224
1-[4-[2-(4-methoxyphenyl)-2-oxoethyl]piperazin-1-yl]butan-1-one
CID 110359021
2-[4-(4-methoxybenzoyl)piperazin-1-yl]-1-phenylethanone
CID 110366218

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxyphenyl)-2-(3,3,4-trimethylpiperazin-1-yl)ethanone?
The IUPAC name of 1-(4-methoxyphenyl)-2-(3,3,4-trimethylpiperazin-1-yl)ethanone (CID 63633759) is 1-(4-methoxyphenyl)-2-(3,3,4-trimethylpiperazin-1-yl)ethanone.
What is the SMILES notation for 1-(4-methoxyphenyl)-2-(3,3,4-trimethylpiperazin-1-yl)ethanone?
The canonical SMILES for 1-(4-methoxyphenyl)-2-(3,3,4-trimethylpiperazin-1-yl)ethanone is COc1ccc(C(=O)CN2CCN(C)C(C)(C)C2)cc1.
What is the InChIKey of 1-(4-methoxyphenyl)-2-(3,3,4-trimethylpiperazin-1-yl)ethanone?
The InChIKey is ZHDCLGQWXRVZOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-16(2)12-18(10-9-17(16)3)11-15(19)13-5-7-14(20-4)8-6-13/h5-8H,9-12H2,1-4H3.
What are the key properties of 1-(4-methoxyphenyl)-2-(3,3,4-trimethylpiperazin-1-yl)ethanone?
1-(4-methoxyphenyl)-2-(3,3,4-trimethylpiperazin-1-yl)ethanone has a molecular weight of 276.38 g/mol, XLogP of 1.90, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxyphenyl)-2-(3,3,4-trimethylpiperazin-1-yl)ethanone is sourced from PubChem (CID 63633759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).