2-(2,4-dimethoxyphenyl)-1-[4-(2-methylanilino)piperidin-1-yl]ethanone

C22H28N2O3 — CID 47093220

IUPAC2-(2,4-dimethoxyphenyl)-1-[4-(2-methylanilino)piperidin-1-yl]ethanone
SMILESCOc1ccc(CC(=O)N2CCC(Nc3ccccc3C)CC2)c(OC)c1
InChIInChI=1S/C22H28N2O3/c1-16-6-4-5-7-20(16)23-18-10-12-24(13-11-18)22(25)14-17-8-9-19(26-2)15-21(17)27-3/h4-9,15,18,23H,10-14H2,1-3H3
InChIKeyRJYFXEDJKUBTEM-UHFFFAOYSA-N
MW368.48 g/mol
LogP3.66
Rot. Bonds6

About 2-(2,4-dimethoxyphenyl)-1-[4-(2-methylanilino)piperidin-1-yl]ethanone

2-(2,4-dimethoxyphenyl)-1-[4-(2-methylanilino)piperidin-1-yl]ethanone (PubChem CID 47093220) has the molecular formula C22H28N2O3 and a molecular weight of 368.48 g/mol. Its IUPAC name is 2-(2,4-dimethoxyphenyl)-1-[4-(2-methylanilino)piperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-(2,4-dimethoxyphenyl)-1-[4-(2-methylanilino)piperidin-1-yl]ethanone
PubChem CID47093220
Molecular FormulaC22H28N2O3
Molecular Weight368.48 g/mol
Exact Mass368.21
IUPAC Name2-(2,4-dimethoxyphenyl)-1-[4-(2-methylanilino)piperidin-1-yl]ethanone
SMILESCOc1ccc(CC(=O)N2CCC(Nc3ccccc3C)CC2)c(OC)c1
InChIInChI=1S/C22H28N2O3/c1-16-6-4-5-7-20(16)23-18-10-12-24(13-11-18)22(25)14-17-8-9-19(26-2)15-21(17)27-3/h4-9,15,18,23H,10-14H2,1-3H3
InChIKeyRJYFXEDJKUBTEM-UHFFFAOYSA-N
XLogP3.66
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.48
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-[2-(2,4-dimethoxyphenyl)acetyl]piperazin-1-yl]-N-(2,6-dimethylphenyl)acetamide
CID 9021753
2-(2,4-dimethoxyphenyl)-1-(4-ethylpiperazin-1-yl)ethanone
CID 51072972
4-(2,4-dimethoxyanilino)piperidine-1-carboxamide
CID 43758070
1-[4-(cyclopropanecarbonyl)-1,4-diazepan-1-yl]-2-(2,4-dimethoxyphenyl)ethanone
CID 110806584
2-(2,4-dimethoxyphenyl)-1-[4-(4-hydroxyphenyl)piperidin-1-yl]ethanone
CID 47018500
2-(2,4-dimethoxyphenyl)-1-[4-(4-methoxyphenyl)piperazin-1-yl]ethanone
CID 18104397
ethyl 4-[2-(2,4-dimethoxyphenyl)acetyl]-1,4-diazepane-1-carboxylate
CID 110809095
2-(2,4-dimethoxyphenyl)-1-[4-(2-hydroxyethyl)piperazin-1-yl]ethanone
CID 39959114
2-(2,4-dimethoxyphenyl)-1-(4-methyl-1,4-diazepan-1-yl)ethanone
CID 39948329
2-chloro-1-[4-(2-methoxyanilino)piperidin-1-yl]ethanone
CID 154803745
2-(2,4-dimethoxyphenyl)-1-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]ethanone
CID 31114132
2-(2-methoxyphenyl)-1-[4-(2-methyl-6-nitroanilino)piperidin-1-yl]ethanone
CID 133447440

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dimethoxyphenyl)-1-[4-(2-methylanilino)piperidin-1-yl]ethanone?
The IUPAC name of 2-(2,4-dimethoxyphenyl)-1-[4-(2-methylanilino)piperidin-1-yl]ethanone (CID 47093220) is 2-(2,4-dimethoxyphenyl)-1-[4-(2-methylanilino)piperidin-1-yl]ethanone.
What is the SMILES notation for 2-(2,4-dimethoxyphenyl)-1-[4-(2-methylanilino)piperidin-1-yl]ethanone?
The canonical SMILES for 2-(2,4-dimethoxyphenyl)-1-[4-(2-methylanilino)piperidin-1-yl]ethanone is COc1ccc(CC(=O)N2CCC(Nc3ccccc3C)CC2)c(OC)c1.
What is the InChIKey of 2-(2,4-dimethoxyphenyl)-1-[4-(2-methylanilino)piperidin-1-yl]ethanone?
The InChIKey is RJYFXEDJKUBTEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O3/c1-16-6-4-5-7-20(16)23-18-10-12-24(13-11-18)22(25)14-17-8-9-19(26-2)15-21(17)27-3/h4-9,15,18,23H,10-14H2,1-3H3.
What are the key properties of 2-(2,4-dimethoxyphenyl)-1-[4-(2-methylanilino)piperidin-1-yl]ethanone?
2-(2,4-dimethoxyphenyl)-1-[4-(2-methylanilino)piperidin-1-yl]ethanone has a molecular weight of 368.48 g/mol, XLogP of 3.66, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dimethoxyphenyl)-1-[4-(2-methylanilino)piperidin-1-yl]ethanone is sourced from PubChem (CID 47093220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).