1-(4-benzyl-3,5-dimethylpiperazin-1-yl)-2-(4-methoxyphenyl)ethanone

C22H28N2O2 — CID 110393885

IUPAC1-(4-benzyl-3,5-dimethylpiperazin-1-yl)-2-(4-methoxyphenyl)ethanone
SMILESCOc1ccc(CC(=O)N2CC(C)N(Cc3ccccc3)C(C)C2)cc1
InChIInChI=1S/C22H28N2O2/c1-17-14-23(22(25)13-19-9-11-21(26-3)12-10-19)15-18(2)24(17)16-20-7-5-4-6-8-20/h4-12,17-18H,13-16H2,1-3H3
InChIKeySTXCXIFPULRALL-UHFFFAOYSA-N
MW352.48 g/mol
LogP3.36
Rot. Bonds5

About 1-(4-benzyl-3,5-dimethylpiperazin-1-yl)-2-(4-methoxyphenyl)ethanone

1-(4-benzyl-3,5-dimethylpiperazin-1-yl)-2-(4-methoxyphenyl)ethanone (PubChem CID 110393885) has the molecular formula C22H28N2O2 and a molecular weight of 352.48 g/mol. Its IUPAC name is 1-(4-benzyl-3,5-dimethylpiperazin-1-yl)-2-(4-methoxyphenyl)ethanone.

Molecular Properties

Compound Name1-(4-benzyl-3,5-dimethylpiperazin-1-yl)-2-(4-methoxyphenyl)ethanone
PubChem CID110393885
Molecular FormulaC22H28N2O2
Molecular Weight352.48 g/mol
Exact Mass352.22
IUPAC Name1-(4-benzyl-3,5-dimethylpiperazin-1-yl)-2-(4-methoxyphenyl)ethanone
SMILESCOc1ccc(CC(=O)N2CC(C)N(Cc3ccccc3)C(C)C2)cc1
InChIInChI=1S/C22H28N2O2/c1-17-14-23(22(25)13-19-9-11-21(26-3)12-10-19)15-18(2)24(17)16-20-7-5-4-6-8-20/h4-12,17-18H,13-16H2,1-3H3
InChIKeySTXCXIFPULRALL-UHFFFAOYSA-N
XLogP3.36
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.48
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-benzyl-3,5-dimethylpiperazin-1-yl)propan-1-one
CID 110393858
2-(4-methoxyphenyl)-1-[3-methyl-4-(2-phenylethyl)piperazin-1-yl]ethanone
CID 110658153
1-(3-hydroxyazetidin-1-yl)-2-(4-methoxyphenyl)ethanone
CID 63106560
1-(4-benzyl-3,5-dimethylpiperazin-1-yl)-3-methylbutan-1-one
CID 110393863
ethyl 4-benzyl-3,5-dimethylpiperazine-1-carboxylate
CID 110393902
1-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-2-(4-methoxyphenyl)ethanone
CID 66213547
1-[(5aS,8aS)-1-[2-(4-methoxyphenyl)ethyl]-2,3,4,5,5a,6,8,8a-octahydropyrrolo[3,4-b]azepin-7-yl]-2-phenylethanone
CID 95795639
1-[2-(4-methoxyphenyl)acetyl]pyrrolidine-3-carboxylic acid
CID 63006760
2-(4-methoxyphenyl)-N-[1-(2-phenylacetyl)piperidin-4-yl]acetamide
CID 108549864
2-(4-methoxyphenyl)-1-(4-methylpiperidin-1-yl)ethanone
CID 668771
1-(3,5-dimethyl-4-phenylpiperazin-1-yl)-2-(4-ethoxyphenyl)ethanone
CID 110602258
2-(4-methoxyphenyl)-1-(4-methyl-3,4-dihydro-1H-isoquinolin-2-yl)ethanone
CID 110750590

Frequently Asked Questions

What is the IUPAC name of 1-(4-benzyl-3,5-dimethylpiperazin-1-yl)-2-(4-methoxyphenyl)ethanone?
The IUPAC name of 1-(4-benzyl-3,5-dimethylpiperazin-1-yl)-2-(4-methoxyphenyl)ethanone (CID 110393885) is 1-(4-benzyl-3,5-dimethylpiperazin-1-yl)-2-(4-methoxyphenyl)ethanone.
What is the SMILES notation for 1-(4-benzyl-3,5-dimethylpiperazin-1-yl)-2-(4-methoxyphenyl)ethanone?
The canonical SMILES for 1-(4-benzyl-3,5-dimethylpiperazin-1-yl)-2-(4-methoxyphenyl)ethanone is COc1ccc(CC(=O)N2CC(C)N(Cc3ccccc3)C(C)C2)cc1.
What is the InChIKey of 1-(4-benzyl-3,5-dimethylpiperazin-1-yl)-2-(4-methoxyphenyl)ethanone?
The InChIKey is STXCXIFPULRALL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O2/c1-17-14-23(22(25)13-19-9-11-21(26-3)12-10-19)15-18(2)24(17)16-20-7-5-4-6-8-20/h4-12,17-18H,13-16H2,1-3H3.
What are the key properties of 1-(4-benzyl-3,5-dimethylpiperazin-1-yl)-2-(4-methoxyphenyl)ethanone?
1-(4-benzyl-3,5-dimethylpiperazin-1-yl)-2-(4-methoxyphenyl)ethanone has a molecular weight of 352.48 g/mol, XLogP of 3.36, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-benzyl-3,5-dimethylpiperazin-1-yl)-2-(4-methoxyphenyl)ethanone is sourced from PubChem (CID 110393885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).