2-anilino-1-[4-(2-methoxyphenyl)piperazin-1-yl]ethanone;dihydrochloride

C19H25Cl2N3O2 — CID 119826557

IUPAC2-anilino-1-[4-(2-methoxyphenyl)piperazin-1-yl]ethanone;dihydrochloride
SMILESCOc1ccccc1N1CCN(C(=O)CNc2ccccc2)CC1.Cl.Cl
InChIInChI=1S/C19H23N3O2.2ClH/c1-24-18-10-6-5-9-17(18)21-11-13-22(14-12-21)19(23)15-20-16-7-3-2-4-8-16;;/h2-10,20H,11-15H2,1H3;2*1H
InChIKeyKWSUQSGDLXKWIK-UHFFFAOYSA-N
MW398.33 g/mol
LogP3.30
Rot. Bonds5

About 2-anilino-1-[4-(2-methoxyphenyl)piperazin-1-yl]ethanone;dihydrochloride

2-anilino-1-[4-(2-methoxyphenyl)piperazin-1-yl]ethanone;dihydrochloride (PubChem CID 119826557) has the molecular formula C19H25Cl2N3O2 and a molecular weight of 398.33 g/mol. Its IUPAC name is 2-anilino-1-[4-(2-methoxyphenyl)piperazin-1-yl]ethanone;dihydrochloride.

Molecular Properties

Compound Name2-anilino-1-[4-(2-methoxyphenyl)piperazin-1-yl]ethanone;dihydrochloride
PubChem CID119826557
Molecular FormulaC19H25Cl2N3O2
Molecular Weight398.33 g/mol
Exact Mass397.13
IUPAC Name2-anilino-1-[4-(2-methoxyphenyl)piperazin-1-yl]ethanone;dihydrochloride
SMILESCOc1ccccc1N1CCN(C(=O)CNc2ccccc2)CC1.Cl.Cl
InChIInChI=1S/C19H23N3O2.2ClH/c1-24-18-10-6-5-9-17(18)21-11-13-22(14-12-21)19(23)15-20-16-7-3-2-4-8-16;;/h2-10,20H,11-15H2,1H3;2*1H
InChIKeyKWSUQSGDLXKWIK-UHFFFAOYSA-N
XLogP3.30
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.33
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-acetylanilino)-1-[4-(2-methoxyphenyl)piperazin-1-yl]ethanone
CID 71116229
2-(3-fluoroanilino)-1-[4-(2-methoxyphenyl)piperazin-1-yl]ethanone
CID 109004179
2-(2-ethoxyanilino)-1-[4-(2-methoxyphenyl)piperazin-1-yl]ethanone
CID 109004159
1-[4-(2-methoxyphenyl)piperazin-1-yl]-3-pyrrolidin-1-ylpropane-1,3-dione
CID 108941985
2-(butan-2-ylamino)-1-[4-(2-methoxyphenyl)piperazin-1-yl]ethanone
CID 108993359
2-(2,5-dimethylanilino)-1-[4-(2-methoxyphenyl)piperazin-1-yl]ethanone
CID 109004130
methyl 4-(2-anilinoacetyl)piperazine-1-carboxylate
CID 61042223
2-isocyano-1-[4-(2-methoxyphenyl)piperazin-1-yl]ethanone
CID 12017077
N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-2-phenoxyacetamide
CID 7494425
1-[4-(2-methoxyphenyl)piperazin-1-yl]-2-(2-methyl-6-propan-2-ylanilino)ethanone
CID 109004142
1-[4-(2-methoxyphenyl)piperazin-1-yl]-3-(4-propan-2-yloxyanilino)propan-1-one
CID 109029490
1-[4-(2-fluorophenyl)piperazin-1-yl]-2-(4-methoxyanilino)ethanone
CID 109004460

Frequently Asked Questions

What is the IUPAC name of 2-anilino-1-[4-(2-methoxyphenyl)piperazin-1-yl]ethanone;dihydrochloride?
The IUPAC name of 2-anilino-1-[4-(2-methoxyphenyl)piperazin-1-yl]ethanone;dihydrochloride (CID 119826557) is 2-anilino-1-[4-(2-methoxyphenyl)piperazin-1-yl]ethanone;dihydrochloride.
What is the SMILES notation for 2-anilino-1-[4-(2-methoxyphenyl)piperazin-1-yl]ethanone;dihydrochloride?
The canonical SMILES for 2-anilino-1-[4-(2-methoxyphenyl)piperazin-1-yl]ethanone;dihydrochloride is COc1ccccc1N1CCN(C(=O)CNc2ccccc2)CC1.Cl.Cl.
What is the InChIKey of 2-anilino-1-[4-(2-methoxyphenyl)piperazin-1-yl]ethanone;dihydrochloride?
The InChIKey is KWSUQSGDLXKWIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O2.2ClH/c1-24-18-10-6-5-9-17(18)21-11-13-22(14-12-21)19(23)15-20-16-7-3-2-4-8-16;;/h2-10,20H,11-15H2,1H3;2*1H.
What are the key properties of 2-anilino-1-[4-(2-methoxyphenyl)piperazin-1-yl]ethanone;dihydrochloride?
2-anilino-1-[4-(2-methoxyphenyl)piperazin-1-yl]ethanone;dihydrochloride has a molecular weight of 398.33 g/mol, XLogP of 3.30, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-anilino-1-[4-(2-methoxyphenyl)piperazin-1-yl]ethanone;dihydrochloride is sourced from PubChem (CID 119826557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).