2-[4-[2-(2,4-dimethoxyphenyl)acetyl]piperazin-1-yl]-N-(2,6-dimethylphenyl)acetamide

C24H31N3O4 — CID 9021753

IUPAC2-[4-[2-(2,4-dimethoxyphenyl)acetyl]piperazin-1-yl]-N-(2,6-dimethylphenyl)acetamide
SMILESCOc1ccc(CC(=O)N2CCN(CC(=O)Nc3c(C)cccc3C)CC2)c(OC)c1
InChIInChI=1S/C24H31N3O4/c1-17-6-5-7-18(2)24(17)25-22(28)16-26-10-12-27(13-11-26)23(29)14-19-8-9-20(30-3)15-21(19)31-4/h5-9,15H,10-14,16H2,1-4H3,(H,25,28)
InChIKeyBZWCOEQXLXJBDW-UHFFFAOYSA-N
MW425.53 g/mol
LogP2.65
Rot. Bonds7

About 2-[4-[2-(2,4-dimethoxyphenyl)acetyl]piperazin-1-yl]-N-(2,6-dimethylphenyl)acetamide

2-[4-[2-(2,4-dimethoxyphenyl)acetyl]piperazin-1-yl]-N-(2,6-dimethylphenyl)acetamide (PubChem CID 9021753) has the molecular formula C24H31N3O4 and a molecular weight of 425.53 g/mol. Its IUPAC name is 2-[4-[2-(2,4-dimethoxyphenyl)acetyl]piperazin-1-yl]-N-(2,6-dimethylphenyl)acetamide.

Molecular Properties

Compound Name2-[4-[2-(2,4-dimethoxyphenyl)acetyl]piperazin-1-yl]-N-(2,6-dimethylphenyl)acetamide
PubChem CID9021753
Molecular FormulaC24H31N3O4
Molecular Weight425.53 g/mol
Exact Mass425.23
IUPAC Name2-[4-[2-(2,4-dimethoxyphenyl)acetyl]piperazin-1-yl]-N-(2,6-dimethylphenyl)acetamide
SMILESCOc1ccc(CC(=O)N2CCN(CC(=O)Nc3c(C)cccc3C)CC2)c(OC)c1
InChIInChI=1S/C24H31N3O4/c1-17-6-5-7-18(2)24(17)25-22(28)16-26-10-12-27(13-11-26)23(29)14-19-8-9-20(30-3)15-21(19)31-4/h5-9,15H,10-14,16H2,1-4H3,(H,25,28)
InChIKeyBZWCOEQXLXJBDW-UHFFFAOYSA-N
XLogP2.65
TPSA71.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.53
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2,6-dimethylphenyl)-2-[4-[2-(3,4,5-trimethoxyphenyl)acetyl]piperazin-1-yl]acetamide
CID 27850794
N-(2,6-dimethylphenyl)-2-[4-[2-(3-fluoro-4-methoxyphenyl)acetyl]piperazin-1-yl]acetamide
CID 9480475
2-(2,4-dimethoxyphenyl)-1-(4-ethylpiperazin-1-yl)ethanone
CID 51072972
N-(2,6-dimethylphenyl)-2-[4-[2-(4-methylphenyl)acetyl]piperazin-1-yl]acetamide
CID 17498739
2-(2,4-dimethoxyphenyl)-1-[4-(2-hydroxyethyl)piperazin-1-yl]ethanone
CID 39959114
[2-[4-[2-(2,6-dimethylanilino)-2-oxoethyl]piperazin-1-yl]-2-oxoethyl] 3,4,5-trimethoxybenzoate
CID 55476509
2-(2,4-dimethoxyphenyl)-1-[4-(2-methylanilino)piperidin-1-yl]ethanone
CID 47093220
2-(2,4-dimethoxyphenyl)-1-[4-(4-methoxyphenyl)piperazin-1-yl]ethanone
CID 18104397
N-(2,6-dimethylphenyl)-2-[4-(5-methoxy-2-methyl-1-benzofuran-3-carbonyl)piperazin-1-yl]acetamide
CID 55789606
ethyl 4-[2-(2,4-dimethoxyphenyl)acetyl]-1,4-diazepane-1-carboxylate
CID 110809095
N-(2,6-dimethylphenyl)-2-[4-[2-(3,4-dimethylphenyl)sulfanylacetyl]piperazin-1-yl]acetamide
CID 8787509
2-(2,4-dimethoxyphenyl)-1-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]ethanone
CID 31114132

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-(2,4-dimethoxyphenyl)acetyl]piperazin-1-yl]-N-(2,6-dimethylphenyl)acetamide?
The IUPAC name of 2-[4-[2-(2,4-dimethoxyphenyl)acetyl]piperazin-1-yl]-N-(2,6-dimethylphenyl)acetamide (CID 9021753) is 2-[4-[2-(2,4-dimethoxyphenyl)acetyl]piperazin-1-yl]-N-(2,6-dimethylphenyl)acetamide.
What is the SMILES notation for 2-[4-[2-(2,4-dimethoxyphenyl)acetyl]piperazin-1-yl]-N-(2,6-dimethylphenyl)acetamide?
The canonical SMILES for 2-[4-[2-(2,4-dimethoxyphenyl)acetyl]piperazin-1-yl]-N-(2,6-dimethylphenyl)acetamide is COc1ccc(CC(=O)N2CCN(CC(=O)Nc3c(C)cccc3C)CC2)c(OC)c1.
What is the InChIKey of 2-[4-[2-(2,4-dimethoxyphenyl)acetyl]piperazin-1-yl]-N-(2,6-dimethylphenyl)acetamide?
The InChIKey is BZWCOEQXLXJBDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N3O4/c1-17-6-5-7-18(2)24(17)25-22(28)16-26-10-12-27(13-11-26)23(29)14-19-8-9-20(30-3)15-21(19)31-4/h5-9,15H,10-14,16H2,1-4H3,(H,25,28).
What are the key properties of 2-[4-[2-(2,4-dimethoxyphenyl)acetyl]piperazin-1-yl]-N-(2,6-dimethylphenyl)acetamide?
2-[4-[2-(2,4-dimethoxyphenyl)acetyl]piperazin-1-yl]-N-(2,6-dimethylphenyl)acetamide has a molecular weight of 425.53 g/mol, XLogP of 2.65, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-(2,4-dimethoxyphenyl)acetyl]piperazin-1-yl]-N-(2,6-dimethylphenyl)acetamide is sourced from PubChem (CID 9021753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).