3-cyclohexyl-1-[4-(1-ethylimidazol-2-yl)piperazin-1-yl]propan-1-one;hydrochloride

C18H31ClN4O — CID 45284187

IUPAC3-cyclohexyl-1-[4-(1-ethylimidazol-2-yl)piperazin-1-yl]propan-1-one;hydrochloride
SMILESCCn1ccnc1N1CCN(C(=O)CCC2CCCCC2)CC1.Cl
InChIInChI=1S/C18H30N4O.ClH/c1-2-20-11-10-19-18(20)22-14-12-21(13-15-22)17(23)9-8-16-6-4-3-5-7-16;/h10-11,16H,2-9,12-15H2,1H3;1H
InChIKeyKTAIFPUMIUOFFG-UHFFFAOYSA-N
MW354.93 g/mol
LogP3.33
Rot. Bonds5

About 3-cyclohexyl-1-[4-(1-ethylimidazol-2-yl)piperazin-1-yl]propan-1-one;hydrochloride

3-cyclohexyl-1-[4-(1-ethylimidazol-2-yl)piperazin-1-yl]propan-1-one;hydrochloride (PubChem CID 45284187) has the molecular formula C18H31ClN4O and a molecular weight of 354.93 g/mol. Its IUPAC name is 3-cyclohexyl-1-[4-(1-ethylimidazol-2-yl)piperazin-1-yl]propan-1-one;hydrochloride.

Molecular Properties

Compound Name3-cyclohexyl-1-[4-(1-ethylimidazol-2-yl)piperazin-1-yl]propan-1-one;hydrochloride
PubChem CID45284187
Molecular FormulaC18H31ClN4O
Molecular Weight354.93 g/mol
Exact Mass354.22
IUPAC Name3-cyclohexyl-1-[4-(1-ethylimidazol-2-yl)piperazin-1-yl]propan-1-one;hydrochloride
SMILESCCn1ccnc1N1CCN(C(=O)CCC2CCCCC2)CC1.Cl
InChIInChI=1S/C18H30N4O.ClH/c1-2-20-11-10-19-18(20)22-14-12-21(13-15-22)17(23)9-8-16-6-4-3-5-7-16;/h10-11,16H,2-9,12-15H2,1H3;1H
InChIKeyKTAIFPUMIUOFFG-UHFFFAOYSA-N
XLogP3.33
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.93
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 90561520
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CID 90561013
3-cyclopentyl-1-(1-ethylimidazol-2-yl)propan-1-one
CID 114973036
1-[4-(1-ethylimidazol-2-yl)piperazin-1-yl]-2-phenylethanone;hydrochloride
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3-cyclopentyl-1-[4-[(2-propan-2-ylimidazol-1-yl)methyl]piperidin-1-yl]propan-1-one
CID 90492840
1-[4-(1-ethylimidazol-2-yl)piperazin-1-yl]-2-propylpentan-1-one
CID 42111025
4-(3-cyclohexylpropanoyl)-N,N-diethylpiperazine-1-carboxamide
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1-[4-(1-ethylimidazol-2-yl)piperazin-1-yl]-2-thiophen-2-ylethanone
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3-cyclohexyl-1-[4-(2-methyl-6-pyrazol-1-ylpyrimidin-4-yl)piperazin-1-yl]propan-1-one
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3-cyclohexyl-1-[4-(4-fluorophenyl)piperazin-1-yl]propan-1-one
CID 898320
3-cyclopentyl-1-[4-(3-cyclopentylpropanoyl)-1,4-diazepan-1-yl]propan-1-one
CID 5202328
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Frequently Asked Questions

What is the IUPAC name of 3-cyclohexyl-1-[4-(1-ethylimidazol-2-yl)piperazin-1-yl]propan-1-one;hydrochloride?
The IUPAC name of 3-cyclohexyl-1-[4-(1-ethylimidazol-2-yl)piperazin-1-yl]propan-1-one;hydrochloride (CID 45284187) is 3-cyclohexyl-1-[4-(1-ethylimidazol-2-yl)piperazin-1-yl]propan-1-one;hydrochloride.
What is the SMILES notation for 3-cyclohexyl-1-[4-(1-ethylimidazol-2-yl)piperazin-1-yl]propan-1-one;hydrochloride?
The canonical SMILES for 3-cyclohexyl-1-[4-(1-ethylimidazol-2-yl)piperazin-1-yl]propan-1-one;hydrochloride is CCn1ccnc1N1CCN(C(=O)CCC2CCCCC2)CC1.Cl.
What is the InChIKey of 3-cyclohexyl-1-[4-(1-ethylimidazol-2-yl)piperazin-1-yl]propan-1-one;hydrochloride?
The InChIKey is KTAIFPUMIUOFFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N4O.ClH/c1-2-20-11-10-19-18(20)22-14-12-21(13-15-22)17(23)9-8-16-6-4-3-5-7-16;/h10-11,16H,2-9,12-15H2,1H3;1H.
What are the key properties of 3-cyclohexyl-1-[4-(1-ethylimidazol-2-yl)piperazin-1-yl]propan-1-one;hydrochloride?
3-cyclohexyl-1-[4-(1-ethylimidazol-2-yl)piperazin-1-yl]propan-1-one;hydrochloride has a molecular weight of 354.93 g/mol, XLogP of 3.33, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexyl-1-[4-(1-ethylimidazol-2-yl)piperazin-1-yl]propan-1-one;hydrochloride is sourced from PubChem (CID 45284187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).