1-[4-(1-methylimidazol-2-yl)piperazin-1-yl]-2-(3-methylphenoxy)ethanone;hydrochloride

C17H23ClN4O2 — CID 71779972

IUPAC1-[4-(1-methylimidazol-2-yl)piperazin-1-yl]-2-(3-methylphenoxy)ethanone;hydrochloride
SMILESCc1cccc(OCC(=O)N2CCN(c3nccn3C)CC2)c1.Cl
InChIInChI=1S/C17H22N4O2.ClH/c1-14-4-3-5-15(12-14)23-13-16(22)20-8-10-21(11-9-20)17-18-6-7-19(17)2;/h3-7,12H,8-11,13H2,1-2H3;1H
InChIKeyWCCUPGCAWINTLO-UHFFFAOYSA-N
MW350.85 g/mol
LogP1.88
Rot. Bonds4

About 1-[4-(1-methylimidazol-2-yl)piperazin-1-yl]-2-(3-methylphenoxy)ethanone;hydrochloride

1-[4-(1-methylimidazol-2-yl)piperazin-1-yl]-2-(3-methylphenoxy)ethanone;hydrochloride (PubChem CID 71779972) has the molecular formula C17H23ClN4O2 and a molecular weight of 350.85 g/mol. Its IUPAC name is 1-[4-(1-methylimidazol-2-yl)piperazin-1-yl]-2-(3-methylphenoxy)ethanone;hydrochloride.

Molecular Properties

Compound Name1-[4-(1-methylimidazol-2-yl)piperazin-1-yl]-2-(3-methylphenoxy)ethanone;hydrochloride
PubChem CID71779972
Molecular FormulaC17H23ClN4O2
Molecular Weight350.85 g/mol
Exact Mass350.15
IUPAC Name1-[4-(1-methylimidazol-2-yl)piperazin-1-yl]-2-(3-methylphenoxy)ethanone;hydrochloride
SMILESCc1cccc(OCC(=O)N2CCN(c3nccn3C)CC2)c1.Cl
InChIInChI=1S/C17H22N4O2.ClH/c1-14-4-3-5-15(12-14)23-13-16(22)20-8-10-21(11-9-20)17-18-6-7-19(17)2;/h3-7,12H,8-11,13H2,1-2H3;1H
InChIKeyWCCUPGCAWINTLO-UHFFFAOYSA-N
XLogP1.88
TPSA50.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.85
LogP ≤ 51.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-methoxyphenoxy)-1-[4-(1-methylimidazol-2-yl)piperazin-1-yl]ethanone
CID 25284816
2-(2,4-dichlorophenoxy)-1-[4-(1-methylimidazol-2-yl)piperazin-1-yl]ethanone;hydrochloride
CID 45284150
1-(4-ethylpiperazin-1-yl)-2-(3-methylphenoxy)ethanone
CID 4636229
2-(3-methylphenoxy)-1-piperazin-1-ylethanone;hydrochloride
CID 119402543
ethyl 4-[2-(3-methylphenoxy)acetyl]piperazine-1-carboxylate
CID 892980
1-[4-[2-(3-methylphenoxy)acetyl]-1,4-diazepan-1-yl]propan-1-one
CID 110796496
4-[4-[2-(3-methylphenoxy)acetyl]piperazin-1-yl]-4-oxobutanoic acid
CID 2050307
1-[4-(6-methoxypyridazin-3-yl)piperazin-1-yl]-2-(3-methylphenoxy)ethanone
CID 16883365
2-(3-methylphenoxy)-1-[4-(2-pyridin-4-ylethyl)piperazin-1-yl]ethanone
CID 17013748
2-(3-methylphenoxy)-1-[4-(6-pyridin-2-ylpyridazin-3-yl)piperazin-1-yl]ethanone
CID 121058835
1-[4-[2-(3-methylphenoxy)ethyl]piperazin-1-yl]-2-phenoxyethanone
CID 110638206
tert-butyl 4-[2-(3-methylphenoxy)acetyl]piperazine-1-carboxylate
CID 110673124

Frequently Asked Questions

What is the IUPAC name of 1-[4-(1-methylimidazol-2-yl)piperazin-1-yl]-2-(3-methylphenoxy)ethanone;hydrochloride?
The IUPAC name of 1-[4-(1-methylimidazol-2-yl)piperazin-1-yl]-2-(3-methylphenoxy)ethanone;hydrochloride (CID 71779972) is 1-[4-(1-methylimidazol-2-yl)piperazin-1-yl]-2-(3-methylphenoxy)ethanone;hydrochloride.
What is the SMILES notation for 1-[4-(1-methylimidazol-2-yl)piperazin-1-yl]-2-(3-methylphenoxy)ethanone;hydrochloride?
The canonical SMILES for 1-[4-(1-methylimidazol-2-yl)piperazin-1-yl]-2-(3-methylphenoxy)ethanone;hydrochloride is Cc1cccc(OCC(=O)N2CCN(c3nccn3C)CC2)c1.Cl.
What is the InChIKey of 1-[4-(1-methylimidazol-2-yl)piperazin-1-yl]-2-(3-methylphenoxy)ethanone;hydrochloride?
The InChIKey is WCCUPGCAWINTLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O2.ClH/c1-14-4-3-5-15(12-14)23-13-16(22)20-8-10-21(11-9-20)17-18-6-7-19(17)2;/h3-7,12H,8-11,13H2,1-2H3;1H.
What are the key properties of 1-[4-(1-methylimidazol-2-yl)piperazin-1-yl]-2-(3-methylphenoxy)ethanone;hydrochloride?
1-[4-(1-methylimidazol-2-yl)piperazin-1-yl]-2-(3-methylphenoxy)ethanone;hydrochloride has a molecular weight of 350.85 g/mol, XLogP of 1.88, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(1-methylimidazol-2-yl)piperazin-1-yl]-2-(3-methylphenoxy)ethanone;hydrochloride is sourced from PubChem (CID 71779972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).