1-[2-(1-methylimidazol-2-yl)piperazin-1-yl]-3-(3-methylphenoxy)propan-1-one;hydrochloride

C18H25ClN4O2 — CID 120880193

IUPAC1-[2-(1-methylimidazol-2-yl)piperazin-1-yl]-3-(3-methylphenoxy)propan-1-one;hydrochloride
SMILESCc1cccc(OCCC(=O)N2CCNCC2c2nccn2C)c1.Cl
InChIInChI=1S/C18H24N4O2.ClH/c1-14-4-3-5-15(12-14)24-11-6-17(23)22-10-7-19-13-16(22)18-20-8-9-21(18)2;/h3-5,8-9,12,16,19H,6-7,10-11,13H2,1-2H3;1H
InChIKeyXYDOTVZEWOPHRS-UHFFFAOYSA-N
MW364.88 g/mol
LogP2.09
Rot. Bonds5

About 1-[2-(1-methylimidazol-2-yl)piperazin-1-yl]-3-(3-methylphenoxy)propan-1-one;hydrochloride

1-[2-(1-methylimidazol-2-yl)piperazin-1-yl]-3-(3-methylphenoxy)propan-1-one;hydrochloride (PubChem CID 120880193) has the molecular formula C18H25ClN4O2 and a molecular weight of 364.88 g/mol. Its IUPAC name is 1-[2-(1-methylimidazol-2-yl)piperazin-1-yl]-3-(3-methylphenoxy)propan-1-one;hydrochloride.

Molecular Properties

Compound Name1-[2-(1-methylimidazol-2-yl)piperazin-1-yl]-3-(3-methylphenoxy)propan-1-one;hydrochloride
PubChem CID120880193
Molecular FormulaC18H25ClN4O2
Molecular Weight364.88 g/mol
Exact Mass364.17
IUPAC Name1-[2-(1-methylimidazol-2-yl)piperazin-1-yl]-3-(3-methylphenoxy)propan-1-one;hydrochloride
SMILESCc1cccc(OCCC(=O)N2CCNCC2c2nccn2C)c1.Cl
InChIInChI=1S/C18H24N4O2.ClH/c1-14-4-3-5-15(12-14)24-11-6-17(23)22-10-7-19-13-16(22)18-20-8-9-21(18)2;/h3-5,8-9,12,16,19H,6-7,10-11,13H2,1-2H3;1H
InChIKeyXYDOTVZEWOPHRS-UHFFFAOYSA-N
XLogP2.09
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.88
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(2,3-dimethylphenoxy)-1-[2-(1-methylimidazol-2-yl)piperazin-1-yl]propan-1-one;hydrochloride
CID 120880399
2-(3-methoxyphenoxy)-1-[2-(1-methylimidazol-2-yl)piperazin-1-yl]ethanone
CID 120879016
2-(3-chlorophenoxy)-1-[2-(1-methylimidazol-2-yl)piperazin-1-yl]ethanone
CID 120879486
1-[2-(3-fluorophenyl)piperazin-1-yl]-3-(3-methylphenoxy)propan-1-one
CID 120736748
1-[2-(1-methylimidazol-2-yl)piperazin-1-yl]-4-(4-methylphenyl)butane-1,4-dione;hydrochloride
CID 120878639
1-[2-(1-methylimidazol-2-yl)piperazin-1-yl]-2-(3-propan-2-yloxyphenyl)ethanone;hydrochloride
CID 120878511
3-(3-methylphenoxy)-1-(2-methylpiperazin-1-yl)propan-1-one
CID 62672416
1-[2-(1-methylimidazol-2-yl)piperazin-1-yl]-2-naphthalen-2-yloxyethanone;hydrochloride
CID 120879981
2-(3,4-dichlorophenoxy)-1-[2-(1-methylimidazol-2-yl)piperazin-1-yl]ethanone;hydrochloride
CID 120880841
2-(2,5-dimethylphenyl)sulfanyl-1-[2-(1-methylimidazol-2-yl)piperazin-1-yl]ethanone;hydrochloride
CID 120879961
1-[2-(1-methylimidazol-2-yl)piperazin-1-yl]-4-(4-propoxyphenyl)butane-1,4-dione;hydrochloride
CID 120880653
3-(2-chloro-4-fluorophenoxy)-1-[2-(1-methylimidazol-2-yl)piperazin-1-yl]propan-1-one
CID 120880856

Frequently Asked Questions

What is the IUPAC name of 1-[2-(1-methylimidazol-2-yl)piperazin-1-yl]-3-(3-methylphenoxy)propan-1-one;hydrochloride?
The IUPAC name of 1-[2-(1-methylimidazol-2-yl)piperazin-1-yl]-3-(3-methylphenoxy)propan-1-one;hydrochloride (CID 120880193) is 1-[2-(1-methylimidazol-2-yl)piperazin-1-yl]-3-(3-methylphenoxy)propan-1-one;hydrochloride.
What is the SMILES notation for 1-[2-(1-methylimidazol-2-yl)piperazin-1-yl]-3-(3-methylphenoxy)propan-1-one;hydrochloride?
The canonical SMILES for 1-[2-(1-methylimidazol-2-yl)piperazin-1-yl]-3-(3-methylphenoxy)propan-1-one;hydrochloride is Cc1cccc(OCCC(=O)N2CCNCC2c2nccn2C)c1.Cl.
What is the InChIKey of 1-[2-(1-methylimidazol-2-yl)piperazin-1-yl]-3-(3-methylphenoxy)propan-1-one;hydrochloride?
The InChIKey is XYDOTVZEWOPHRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O2.ClH/c1-14-4-3-5-15(12-14)24-11-6-17(23)22-10-7-19-13-16(22)18-20-8-9-21(18)2;/h3-5,8-9,12,16,19H,6-7,10-11,13H2,1-2H3;1H.
What are the key properties of 1-[2-(1-methylimidazol-2-yl)piperazin-1-yl]-3-(3-methylphenoxy)propan-1-one;hydrochloride?
1-[2-(1-methylimidazol-2-yl)piperazin-1-yl]-3-(3-methylphenoxy)propan-1-one;hydrochloride has a molecular weight of 364.88 g/mol, XLogP of 2.09, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(1-methylimidazol-2-yl)piperazin-1-yl]-3-(3-methylphenoxy)propan-1-one;hydrochloride is sourced from PubChem (CID 120880193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).