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

C17H29ClN4O — CID 120879549

IUPACcyclooctyl-[2-(1-methylimidazol-2-yl)piperazin-1-yl]methanone;hydrochloride
SMILESCl.Cn1ccnc1C1CNCCN1C(=O)C1CCCCCCC1
InChIInChI=1S/C17H28N4O.ClH/c1-20-11-10-19-16(20)15-13-18-9-12-21(15)17(22)14-7-5-3-2-4-6-8-14;/h10-11,14-15,18H,2-9,12-13H2,1H3;1H
InChIKeyYYFNLGBJAONQCV-UHFFFAOYSA-N
MW340.90 g/mol
LogP2.68
Rot. Bonds2

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

cyclooctyl-[2-(1-methylimidazol-2-yl)piperazin-1-yl]methanone;hydrochloride (PubChem CID 120879549) has the molecular formula C17H29ClN4O and a molecular weight of 340.90 g/mol. Its IUPAC name is cyclooctyl-[2-(1-methylimidazol-2-yl)piperazin-1-yl]methanone;hydrochloride.

Molecular Properties

Compound Namecyclooctyl-[2-(1-methylimidazol-2-yl)piperazin-1-yl]methanone;hydrochloride
PubChem CID120879549
Molecular FormulaC17H29ClN4O
Molecular Weight340.90 g/mol
Exact Mass340.20
IUPAC Namecyclooctyl-[2-(1-methylimidazol-2-yl)piperazin-1-yl]methanone;hydrochloride
SMILESCl.Cn1ccnc1C1CNCCN1C(=O)C1CCCCCCC1
InChIInChI=1S/C17H28N4O.ClH/c1-20-11-10-19-16(20)15-13-18-9-12-21(15)17(22)14-7-5-3-2-4-6-8-14;/h10-11,14-15,18H,2-9,12-13H2,1H3;1H
InChIKeyYYFNLGBJAONQCV-UHFFFAOYSA-N
XLogP2.68
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.90
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-bicyclo[3.1.0]hexanyl-[2-(1-methylimidazol-2-yl)piperazin-1-yl]methanone;hydrochloride
CID 120880027
N-[2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]-2-oxoethyl]cyclohexanecarboxamide
CID 120880644
1-[3-[2-(1-methylimidazol-2-yl)piperazine-1-carbonyl]piperidin-1-yl]-2-phenylethanone
CID 120879828
[2-(1-methylimidazol-2-yl)piperazin-1-yl]-(2,2,3,3-tetramethylcyclopropyl)methanone
CID 120879634
2-cyclopentyloxy-1-[2-(1-methylimidazol-2-yl)piperazin-1-yl]ethanone
CID 120878784
2-adamantyl-[2-(1-methylimidazol-2-yl)piperazin-1-yl]methanone
CID 120877844
[2-(1-methylimidazol-2-yl)piperazin-1-yl]-(1-methylpyrrol-2-yl)methanone;hydrochloride
CID 120879273
[2-(1-methylimidazol-2-yl)piperazin-1-yl]-pyridin-3-ylmethanone;dihydrochloride
CID 120878927
1-[2-(1-methylimidazol-2-yl)piperazin-1-yl]-2-(oxolan-2-yl)ethanone;hydrochloride
CID 120880679
1-[2-(1-methylimidazol-2-yl)piperazin-1-yl]-2-pyrazol-1-ylethanone;dihydrochloride
CID 120879343
N-cyclopentyl-2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]acetamide;hydrochloride
CID 120871110
N-cycloheptyl-2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]acetamide
CID 120870391

Frequently Asked Questions

What is the IUPAC name of cyclooctyl-[2-(1-methylimidazol-2-yl)piperazin-1-yl]methanone;hydrochloride?
The IUPAC name of cyclooctyl-[2-(1-methylimidazol-2-yl)piperazin-1-yl]methanone;hydrochloride (CID 120879549) is cyclooctyl-[2-(1-methylimidazol-2-yl)piperazin-1-yl]methanone;hydrochloride.
What is the SMILES notation for cyclooctyl-[2-(1-methylimidazol-2-yl)piperazin-1-yl]methanone;hydrochloride?
The canonical SMILES for cyclooctyl-[2-(1-methylimidazol-2-yl)piperazin-1-yl]methanone;hydrochloride is Cl.Cn1ccnc1C1CNCCN1C(=O)C1CCCCCCC1.
What is the InChIKey of cyclooctyl-[2-(1-methylimidazol-2-yl)piperazin-1-yl]methanone;hydrochloride?
The InChIKey is YYFNLGBJAONQCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N4O.ClH/c1-20-11-10-19-16(20)15-13-18-9-12-21(15)17(22)14-7-5-3-2-4-6-8-14;/h10-11,14-15,18H,2-9,12-13H2,1H3;1H.
What are the key properties of cyclooctyl-[2-(1-methylimidazol-2-yl)piperazin-1-yl]methanone;hydrochloride?
cyclooctyl-[2-(1-methylimidazol-2-yl)piperazin-1-yl]methanone;hydrochloride has a molecular weight of 340.90 g/mol, XLogP of 2.68, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cyclooctyl-[2-(1-methylimidazol-2-yl)piperazin-1-yl]methanone;hydrochloride is sourced from PubChem (CID 120879549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).