2-(2,5-dimethoxyanilino)-1-(4-methylpiperazin-1-yl)ethanone

C15H23N3O3 — CID 28575998

IUPAC2-(2,5-dimethoxyanilino)-1-(4-methylpiperazin-1-yl)ethanone
SMILESCOc1ccc(OC)c(NCC(=O)N2CCN(C)CC2)c1
InChIInChI=1S/C15H23N3O3/c1-17-6-8-18(9-7-17)15(19)11-16-13-10-12(20-2)4-5-14(13)21-3/h4-5,10,16H,6-9,11H2,1-3H3
InChIKeyFFLFCUNWTZTAOI-UHFFFAOYSA-N
MW293.37 g/mol
LogP0.89
Rot. Bonds5

About 2-(2,5-dimethoxyanilino)-1-(4-methylpiperazin-1-yl)ethanone

2-(2,5-dimethoxyanilino)-1-(4-methylpiperazin-1-yl)ethanone (PubChem CID 28575998) has the molecular formula C15H23N3O3 and a molecular weight of 293.37 g/mol. Its IUPAC name is 2-(2,5-dimethoxyanilino)-1-(4-methylpiperazin-1-yl)ethanone.

Molecular Properties

Compound Name2-(2,5-dimethoxyanilino)-1-(4-methylpiperazin-1-yl)ethanone
PubChem CID28575998
Molecular FormulaC15H23N3O3
Molecular Weight293.37 g/mol
Exact Mass293.17
IUPAC Name2-(2,5-dimethoxyanilino)-1-(4-methylpiperazin-1-yl)ethanone
SMILESCOc1ccc(OC)c(NCC(=O)N2CCN(C)CC2)c1
InChIInChI=1S/C15H23N3O3/c1-17-6-8-18(9-7-17)15(19)11-16-13-10-12(20-2)4-5-14(13)21-3/h4-5,10,16H,6-9,11H2,1-3H3
InChIKeyFFLFCUNWTZTAOI-UHFFFAOYSA-N
XLogP0.89
TPSA54.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 50.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-(2,5-dimethoxyanilino)-1-(4-methylpiperazin-1-yl)ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2,5-dimethoxyphenyl)-3-(4-methylpiperazin-1-yl)-3-oxopropanamide
CID 108944436
ethyl 2-(2,5-dimethoxyanilino)acetate
CID 28576005
2-(3-chloro-4-methoxyanilino)-1-(4-methylpiperazin-1-yl)ethanone
CID 28570686
2-(2-amino-5-methoxyanilino)-1-pyrrolidin-1-ylethanone
CID 113405856
3-(2,5-dimethoxyanilino)-1-[4-(4-methoxyphenyl)piperazin-1-yl]propan-1-one
CID 109033715
1-(3,4-dihydro-2H-quinolin-1-yl)-2-(2,5-dimethoxyanilino)ethanone
CID 54813893
2-(2-bromo-5-methoxyanilino)-1-piperidin-1-ylethanone
CID 62401443
1-(4-acetylpiperazin-1-yl)-2-(2-methoxyanilino)ethanone
CID 108996173
2-(4-chloro-3-methoxyanilino)-1-(4-methylpiperazin-1-yl)ethanone
CID 107621589
2-[(6-methoxynaphthalen-2-yl)methylamino]-1-(4-methylpiperazin-1-yl)ethanone
CID 56799660
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

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dimethoxyanilino)-1-(4-methylpiperazin-1-yl)ethanone?
The IUPAC name of 2-(2,5-dimethoxyanilino)-1-(4-methylpiperazin-1-yl)ethanone (CID 28575998) is 2-(2,5-dimethoxyanilino)-1-(4-methylpiperazin-1-yl)ethanone.
What is the SMILES notation for 2-(2,5-dimethoxyanilino)-1-(4-methylpiperazin-1-yl)ethanone?
The canonical SMILES for 2-(2,5-dimethoxyanilino)-1-(4-methylpiperazin-1-yl)ethanone is COc1ccc(OC)c(NCC(=O)N2CCN(C)CC2)c1.
What is the InChIKey of 2-(2,5-dimethoxyanilino)-1-(4-methylpiperazin-1-yl)ethanone?
The InChIKey is FFLFCUNWTZTAOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O3/c1-17-6-8-18(9-7-17)15(19)11-16-13-10-12(20-2)4-5-14(13)21-3/h4-5,10,16H,6-9,11H2,1-3H3.
What are the key properties of 2-(2,5-dimethoxyanilino)-1-(4-methylpiperazin-1-yl)ethanone?
2-(2,5-dimethoxyanilino)-1-(4-methylpiperazin-1-yl)ethanone has a molecular weight of 293.37 g/mol, XLogP of 0.89, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dimethoxyanilino)-1-(4-methylpiperazin-1-yl)ethanone is sourced from PubChem (CID 28575998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).