1-[2-(1-methylimidazol-2-yl)piperazin-1-yl]-2-(oxolan-2-yl)ethanone;hydrochloride

C14H23ClN4O2 — CID 120880679

IUPAC1-[2-(1-methylimidazol-2-yl)piperazin-1-yl]-2-(oxolan-2-yl)ethanone;hydrochloride
SMILESCl.Cn1ccnc1C1CNCCN1C(=O)CC1CCCO1
InChIInChI=1S/C14H22N4O2.ClH/c1-17-6-5-16-14(17)12-10-15-4-7-18(12)13(19)9-11-3-2-8-20-11;/h5-6,11-12,15H,2-4,7-10H2,1H3;1H
InChIKeySFHRVWYMHWPDBS-UHFFFAOYSA-N
MW314.82 g/mol
LogP0.88
Rot. Bonds3

About 1-[2-(1-methylimidazol-2-yl)piperazin-1-yl]-2-(oxolan-2-yl)ethanone;hydrochloride

1-[2-(1-methylimidazol-2-yl)piperazin-1-yl]-2-(oxolan-2-yl)ethanone;hydrochloride (PubChem CID 120880679) has the molecular formula C14H23ClN4O2 and a molecular weight of 314.82 g/mol. Its IUPAC name is 1-[2-(1-methylimidazol-2-yl)piperazin-1-yl]-2-(oxolan-2-yl)ethanone;hydrochloride.

Molecular Properties

Compound Name1-[2-(1-methylimidazol-2-yl)piperazin-1-yl]-2-(oxolan-2-yl)ethanone;hydrochloride
PubChem CID120880679
Molecular FormulaC14H23ClN4O2
Molecular Weight314.82 g/mol
Exact Mass314.15
IUPAC Name1-[2-(1-methylimidazol-2-yl)piperazin-1-yl]-2-(oxolan-2-yl)ethanone;hydrochloride
SMILESCl.Cn1ccnc1C1CNCCN1C(=O)CC1CCCO1
InChIInChI=1S/C14H22N4O2.ClH/c1-17-6-5-16-14(17)12-10-15-4-7-18(12)13(19)9-11-3-2-8-20-11;/h5-6,11-12,15H,2-4,7-10H2,1H3;1H
InChIKeySFHRVWYMHWPDBS-UHFFFAOYSA-N
XLogP0.88
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.82
LogP ≤ 50.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-[2-(1-methylimidazol-2-yl)piperazin-1-yl]-2-(oxolan-2-yl)ethanone;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

6-bicyclo[3.1.0]hexanyl-[2-(1-methylimidazol-2-yl)piperazin-1-yl]methanone;hydrochloride
CID 120880027
cyclooctyl-[2-(1-methylimidazol-2-yl)piperazin-1-yl]methanone;hydrochloride
CID 120879549
2-cyclopentyloxy-1-[2-(1-methylimidazol-2-yl)piperazin-1-yl]ethanone
CID 120878784
1-[2-(1-methylimidazol-2-yl)piperazin-1-yl]-2-pyrazol-1-ylethanone;dihydrochloride
CID 120879343
1-[2-(1-methylimidazol-2-yl)piperazin-1-yl]-4-(4-methylphenyl)butane-1,4-dione;hydrochloride
CID 120878639
N-[2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]-2-oxoethyl]cyclohexanecarboxamide
CID 120880644
2-(3,5-diethyl-1,2-oxazol-4-yl)-1-[2-(1-methylimidazol-2-yl)piperazin-1-yl]ethanone;hydrochloride
CID 120879547
2-(2-fluorophenyl)-1-[2-(1-methylimidazol-2-yl)piperazin-1-yl]ethanone;hydrochloride
CID 120879127
2-(2,6-dimethylanilino)-1-[2-(1-methylimidazol-2-yl)piperazin-1-yl]ethanone;dihydrochloride
CID 120879777
1-[(2R)-2-methylpiperazin-1-yl]-2-(oxolan-2-yl)ethanone
CID 82704997
2-(2,6-dichlorophenyl)-1-[2-(1-methylimidazol-2-yl)piperazin-1-yl]ethanone;hydrochloride
CID 120880473
2-(2,5-dimethylphenyl)sulfanyl-1-[2-(1-methylimidazol-2-yl)piperazin-1-yl]ethanone;hydrochloride
CID 120879961

Frequently Asked Questions

What is the IUPAC name of 1-[2-(1-methylimidazol-2-yl)piperazin-1-yl]-2-(oxolan-2-yl)ethanone;hydrochloride?
The IUPAC name of 1-[2-(1-methylimidazol-2-yl)piperazin-1-yl]-2-(oxolan-2-yl)ethanone;hydrochloride (CID 120880679) is 1-[2-(1-methylimidazol-2-yl)piperazin-1-yl]-2-(oxolan-2-yl)ethanone;hydrochloride.
What is the SMILES notation for 1-[2-(1-methylimidazol-2-yl)piperazin-1-yl]-2-(oxolan-2-yl)ethanone;hydrochloride?
The canonical SMILES for 1-[2-(1-methylimidazol-2-yl)piperazin-1-yl]-2-(oxolan-2-yl)ethanone;hydrochloride is Cl.Cn1ccnc1C1CNCCN1C(=O)CC1CCCO1.
What is the InChIKey of 1-[2-(1-methylimidazol-2-yl)piperazin-1-yl]-2-(oxolan-2-yl)ethanone;hydrochloride?
The InChIKey is SFHRVWYMHWPDBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O2.ClH/c1-17-6-5-16-14(17)12-10-15-4-7-18(12)13(19)9-11-3-2-8-20-11;/h5-6,11-12,15H,2-4,7-10H2,1H3;1H.
What are the key properties of 1-[2-(1-methylimidazol-2-yl)piperazin-1-yl]-2-(oxolan-2-yl)ethanone;hydrochloride?
1-[2-(1-methylimidazol-2-yl)piperazin-1-yl]-2-(oxolan-2-yl)ethanone;hydrochloride has a molecular weight of 314.82 g/mol, XLogP of 0.88, 3 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]-2-(oxolan-2-yl)ethanone;hydrochloride is sourced from PubChem (CID 120880679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).