2-cyclohexyl-1-[4-[2-(2-methylimidazol-1-yl)ethyl]piperazin-1-yl]ethanone

C18H30N4O — CID 90533668

IUPAC2-cyclohexyl-1-[4-[2-(2-methylimidazol-1-yl)ethyl]piperazin-1-yl]ethanone
SMILESCc1nccn1CCN1CCN(C(=O)CC2CCCCC2)CC1
InChIInChI=1S/C18H30N4O/c1-16-19-7-8-21(16)12-9-20-10-13-22(14-11-20)18(23)15-17-5-3-2-4-6-17/h7-8,17H,2-6,9-15H2,1H3
InChIKeyFKIGDKCZOMIWIR-UHFFFAOYSA-N
MW318.46 g/mol
LogP2.31
Rot. Bonds5

About 2-cyclohexyl-1-[4-[2-(2-methylimidazol-1-yl)ethyl]piperazin-1-yl]ethanone

2-cyclohexyl-1-[4-[2-(2-methylimidazol-1-yl)ethyl]piperazin-1-yl]ethanone (PubChem CID 90533668) has the molecular formula C18H30N4O and a molecular weight of 318.46 g/mol. Its IUPAC name is 2-cyclohexyl-1-[4-[2-(2-methylimidazol-1-yl)ethyl]piperazin-1-yl]ethanone.

Molecular Properties

Compound Name2-cyclohexyl-1-[4-[2-(2-methylimidazol-1-yl)ethyl]piperazin-1-yl]ethanone
PubChem CID90533668
Molecular FormulaC18H30N4O
Molecular Weight318.46 g/mol
Exact Mass318.24
IUPAC Name2-cyclohexyl-1-[4-[2-(2-methylimidazol-1-yl)ethyl]piperazin-1-yl]ethanone
SMILESCc1nccn1CCN1CCN(C(=O)CC2CCCCC2)CC1
InChIInChI=1S/C18H30N4O/c1-16-19-7-8-21(16)12-9-20-10-13-22(14-11-20)18(23)15-17-5-3-2-4-6-17/h7-8,17H,2-6,9-15H2,1H3
InChIKeyFKIGDKCZOMIWIR-UHFFFAOYSA-N
XLogP2.31
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.46
LogP ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-[2-(2-methylimidazol-1-yl)ethyl]piperazin-1-yl]ethanone
CID 90533655
1-[4-[2-(2-methylimidazol-1-yl)ethyl]piperazin-1-yl]pentan-1-one
CID 90533659
3-cyclopentyl-1-[4-[2-(2-ethylimidazol-1-yl)ethyl]piperazin-1-yl]propan-1-one
CID 90561520
1-[2-(2-methylimidazol-1-yl)ethyl]piperidine
CID 61225679
3-cyclohexyl-1-[4-[2-(2-propan-2-ylimidazol-1-yl)ethyl]piperazin-1-yl]propan-1-one
CID 90561013
1-[2-(2-methylimidazol-1-yl)ethyl]piperidine-4-carbaldehyde
CID 62656814
2-cyclohexyl-1-[4-[(2-ethylimidazol-1-yl)methyl]piperidin-1-yl]ethanone
CID 90492733
1-[4-[2-(2-methylimidazol-1-yl)ethyl]piperazin-1-yl]-2-naphthalen-1-ylethanone
CID 90533764
(4-butylcyclohexyl)-[4-[2-(2-methylimidazol-1-yl)ethyl]piperazin-1-yl]methanone
CID 90533672
3-(benzenesulfonyl)-1-[4-[2-(2-methylimidazol-1-yl)ethyl]piperazin-1-yl]propan-1-one
CID 90533828
2-cyclopentyl-1-[4-[6-(2-methylimidazol-1-yl)pyrimidin-4-yl]piperazin-1-yl]ethanone
CID 122338719
(4-chlorophenyl)-[4-[2-(2-methylimidazol-1-yl)ethyl]piperazin-1-yl]methanone
CID 90533707

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-1-[4-[2-(2-methylimidazol-1-yl)ethyl]piperazin-1-yl]ethanone?
The IUPAC name of 2-cyclohexyl-1-[4-[2-(2-methylimidazol-1-yl)ethyl]piperazin-1-yl]ethanone (CID 90533668) is 2-cyclohexyl-1-[4-[2-(2-methylimidazol-1-yl)ethyl]piperazin-1-yl]ethanone.
What is the SMILES notation for 2-cyclohexyl-1-[4-[2-(2-methylimidazol-1-yl)ethyl]piperazin-1-yl]ethanone?
The canonical SMILES for 2-cyclohexyl-1-[4-[2-(2-methylimidazol-1-yl)ethyl]piperazin-1-yl]ethanone is Cc1nccn1CCN1CCN(C(=O)CC2CCCCC2)CC1.
What is the InChIKey of 2-cyclohexyl-1-[4-[2-(2-methylimidazol-1-yl)ethyl]piperazin-1-yl]ethanone?
The InChIKey is FKIGDKCZOMIWIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N4O/c1-16-19-7-8-21(16)12-9-20-10-13-22(14-11-20)18(23)15-17-5-3-2-4-6-17/h7-8,17H,2-6,9-15H2,1H3.
What are the key properties of 2-cyclohexyl-1-[4-[2-(2-methylimidazol-1-yl)ethyl]piperazin-1-yl]ethanone?
2-cyclohexyl-1-[4-[2-(2-methylimidazol-1-yl)ethyl]piperazin-1-yl]ethanone has a molecular weight of 318.46 g/mol, XLogP of 2.31, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-1-[4-[2-(2-methylimidazol-1-yl)ethyl]piperazin-1-yl]ethanone is sourced from PubChem (CID 90533668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).