cyclohexyl-[4-(1-methylimidazol-2-yl)piperazin-1-yl]methanone;hydrochloride

C15H25ClN4O — CID 71779952

IUPACcyclohexyl-[4-(1-methylimidazol-2-yl)piperazin-1-yl]methanone;hydrochloride
SMILESCl.Cn1ccnc1N1CCN(C(=O)C2CCCCC2)CC1
InChIInChI=1S/C15H24N4O.ClH/c1-17-8-7-16-15(17)19-11-9-18(10-12-19)14(20)13-5-3-2-4-6-13;/h7-8,13H,2-6,9-12H2,1H3;1H
InChIKeyPIJOSPLMSVVIMH-UHFFFAOYSA-N
MW312.85 g/mol
LogP2.07
Rot. Bonds2

About cyclohexyl-[4-(1-methylimidazol-2-yl)piperazin-1-yl]methanone;hydrochloride

cyclohexyl-[4-(1-methylimidazol-2-yl)piperazin-1-yl]methanone;hydrochloride (PubChem CID 71779952) has the molecular formula C15H25ClN4O and a molecular weight of 312.85 g/mol. Its IUPAC name is cyclohexyl-[4-(1-methylimidazol-2-yl)piperazin-1-yl]methanone;hydrochloride.

Molecular Properties

Compound Namecyclohexyl-[4-(1-methylimidazol-2-yl)piperazin-1-yl]methanone;hydrochloride
PubChem CID71779952
Molecular FormulaC15H25ClN4O
Molecular Weight312.85 g/mol
Exact Mass312.17
IUPAC Namecyclohexyl-[4-(1-methylimidazol-2-yl)piperazin-1-yl]methanone;hydrochloride
SMILESCl.Cn1ccnc1N1CCN(C(=O)C2CCCCC2)CC1
InChIInChI=1S/C15H24N4O.ClH/c1-17-8-7-16-15(17)19-11-9-18(10-12-19)14(20)13-5-3-2-4-6-13;/h7-8,13H,2-6,9-12H2,1H3;1H
InChIKeyPIJOSPLMSVVIMH-UHFFFAOYSA-N
XLogP2.07
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.85
LogP ≤ 52.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze cyclohexyl-[4-(1-methylimidazol-2-yl)piperazin-1-yl]methanone;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

cyclohexyl-N-(3-imidazolylpropyl)carboxamide
CID 3425823
2-(cyclopropylmethyl)-9-[3-(2-methyl-1H-imidazol-1-yl)propyl]-2,9-diazaspiro[5.5]undecan-3-one
CID 70707169
2-ethyl-9-[2-(1-methyl-1H-imidazol-2-yl)ethyl]-2,9-diazaspiro[5.5]undecan-3-one
CID 70777392
N-methyl-N-[(1-methylimidazol-2-yl)methyl]adamantane-1-carboxamide
CID 71458595
1-(cyclobutylcarbonyl)-N-methyl-N-[2-(2-methyl-1H-imidazol-1-yl)ethyl]-4-piperidinecarboxamide
CID 72857947
8-[2-(2-methyl-1H-imidazol-1-yl)ethyl]-8-azaspiro[4.5]decane-7,9-dione
CID 72871968
1-[(1-isopropyl-4-piperidinyl)acetyl]-4-[(1-methyl-1H-imidazol-2-yl)methyl]piperazine
CID 72880762
2-(Cyclopropylmethyl)-9-[3-(2-methylimidazol-1-yl)propanoyl]-2,9-diazaspiro[5.5]undecan-3-one
CID 72890498
1-(cyclopentylcarbonyl)-N-methyl-N-[3-(1-methyl-1H-imidazol-2-yl)propyl]-4-piperidinecarboxamide
CID 72898854
1-(cyclopentylcarbonyl)-N-methyl-N-[2-(2-methyl-1H-imidazol-1-yl)ethyl]-4-piperidinecarboxamide
CID 72913891
1-(cyclobutylcarbonyl)-N-methyl-N-[3-(1-methyl-1H-imidazol-2-yl)propyl]-4-piperidinecarboxamide
CID 72924602
1-[3-[(1-Methylimidazol-2-yl)methyl]piperidin-1-yl]ethanone
CID 110269228

Frequently Asked Questions

What is the IUPAC name of cyclohexyl-[4-(1-methylimidazol-2-yl)piperazin-1-yl]methanone;hydrochloride?
The IUPAC name of cyclohexyl-[4-(1-methylimidazol-2-yl)piperazin-1-yl]methanone;hydrochloride (CID 71779952) is cyclohexyl-[4-(1-methylimidazol-2-yl)piperazin-1-yl]methanone;hydrochloride.
What is the SMILES notation for cyclohexyl-[4-(1-methylimidazol-2-yl)piperazin-1-yl]methanone;hydrochloride?
The canonical SMILES for cyclohexyl-[4-(1-methylimidazol-2-yl)piperazin-1-yl]methanone;hydrochloride is Cl.Cn1ccnc1N1CCN(C(=O)C2CCCCC2)CC1.
What is the InChIKey of cyclohexyl-[4-(1-methylimidazol-2-yl)piperazin-1-yl]methanone;hydrochloride?
The InChIKey is PIJOSPLMSVVIMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O.ClH/c1-17-8-7-16-15(17)19-11-9-18(10-12-19)14(20)13-5-3-2-4-6-13;/h7-8,13H,2-6,9-12H2,1H3;1H.
What are the key properties of cyclohexyl-[4-(1-methylimidazol-2-yl)piperazin-1-yl]methanone;hydrochloride?
cyclohexyl-[4-(1-methylimidazol-2-yl)piperazin-1-yl]methanone;hydrochloride has a molecular weight of 312.85 g/mol, XLogP of 2.07, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexyl-[4-(1-methylimidazol-2-yl)piperazin-1-yl]methanone;hydrochloride is sourced from PubChem (CID 71779952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).