2-(2-methoxyanilino)-1-piperazin-1-ylethanone;dihydrochloride

C13H21Cl2N3O2 — CID 119400813

IUPAC2-(2-methoxyanilino)-1-piperazin-1-ylethanone;dihydrochloride
SMILESCOc1ccccc1NCC(=O)N1CCNCC1.Cl.Cl
InChIInChI=1S/C13H19N3O2.2ClH/c1-18-12-5-3-2-4-11(12)15-10-13(17)16-8-6-14-7-9-16;;/h2-5,14-15H,6-10H2,1H3;2*1H
InChIKeyKSIJINMGRISYIZ-UHFFFAOYSA-N
MW322.24 g/mol
LogP1.38
Rot. Bonds4

About 2-(2-methoxyanilino)-1-piperazin-1-ylethanone;dihydrochloride

2-(2-methoxyanilino)-1-piperazin-1-ylethanone;dihydrochloride (PubChem CID 119400813) has the molecular formula C13H21Cl2N3O2 and a molecular weight of 322.24 g/mol. Its IUPAC name is 2-(2-methoxyanilino)-1-piperazin-1-ylethanone;dihydrochloride.

Molecular Properties

Compound Name2-(2-methoxyanilino)-1-piperazin-1-ylethanone;dihydrochloride
PubChem CID119400813
Molecular FormulaC13H21Cl2N3O2
Molecular Weight322.24 g/mol
Exact Mass321.10
IUPAC Name2-(2-methoxyanilino)-1-piperazin-1-ylethanone;dihydrochloride
SMILESCOc1ccccc1NCC(=O)N1CCNCC1.Cl.Cl
InChIInChI=1S/C13H19N3O2.2ClH/c1-18-12-5-3-2-4-11(12)15-10-13(17)16-8-6-14-7-9-16;;/h2-5,14-15H,6-10H2,1H3;2*1H
InChIKeyKSIJINMGRISYIZ-UHFFFAOYSA-N
XLogP1.38
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.24
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-methoxyanilino)-1-(3-methylpiperazin-1-yl)ethanone
CID 119577129
1-(4-acetylpiperazin-1-yl)-2-(2-methoxyanilino)ethanone
CID 108996173
2-(2-hydroxyanilino)-1-piperazin-1-ylethanone
CID 82510539
ethyl 4-[2-(2-methoxyanilino)acetyl]piperazine-1-carboxylate
CID 109003881
1-(4-aminopiperidin-1-yl)-2-(2-methoxyanilino)ethanone
CID 119373605
1-[4-(ethylaminomethyl)piperidin-1-yl]-2-(2-methoxyanilino)ethanone
CID 119644996
2-(2-methoxyanilino)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)acetamide;dihydrochloride
CID 120812248
N-(2-methoxyphenyl)-1-(3-oxo-3-piperazin-1-ylpropyl)piperidine-4-carboxamide;hydrochloride
CID 120981028
2-(2-methoxyanilino)-1-[4-(piperidin-1-ylmethyl)piperidin-1-yl]ethanone
CID 22677899
2-(2-ethoxyanilino)-1-[4-(2-methoxyphenyl)piperazin-1-yl]ethanone
CID 109004159
3-(2,6-dimethoxyphenoxy)-1-piperazin-1-ylpropan-1-one
CID 39288381
1-(2,3-dihydroindol-1-yl)-2-(2-methoxyanilino)ethanone
CID 9080490

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyanilino)-1-piperazin-1-ylethanone;dihydrochloride?
The IUPAC name of 2-(2-methoxyanilino)-1-piperazin-1-ylethanone;dihydrochloride (CID 119400813) is 2-(2-methoxyanilino)-1-piperazin-1-ylethanone;dihydrochloride.
What is the SMILES notation for 2-(2-methoxyanilino)-1-piperazin-1-ylethanone;dihydrochloride?
The canonical SMILES for 2-(2-methoxyanilino)-1-piperazin-1-ylethanone;dihydrochloride is COc1ccccc1NCC(=O)N1CCNCC1.Cl.Cl.
What is the InChIKey of 2-(2-methoxyanilino)-1-piperazin-1-ylethanone;dihydrochloride?
The InChIKey is KSIJINMGRISYIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O2.2ClH/c1-18-12-5-3-2-4-11(12)15-10-13(17)16-8-6-14-7-9-16;;/h2-5,14-15H,6-10H2,1H3;2*1H.
What are the key properties of 2-(2-methoxyanilino)-1-piperazin-1-ylethanone;dihydrochloride?
2-(2-methoxyanilino)-1-piperazin-1-ylethanone;dihydrochloride has a molecular weight of 322.24 g/mol, XLogP of 1.38, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyanilino)-1-piperazin-1-ylethanone;dihydrochloride is sourced from PubChem (CID 119400813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).