cyclohexyl-[4-[(2-ethylimidazol-1-yl)methyl]piperidin-1-yl]methanone

C18H29N3O — CID 90492732

IUPACcyclohexyl-[4-[(2-ethylimidazol-1-yl)methyl]piperidin-1-yl]methanone
SMILESCCc1nccn1CC1CCN(C(=O)C2CCCCC2)CC1
InChIInChI=1S/C18H29N3O/c1-2-17-19-10-13-21(17)14-15-8-11-20(12-9-15)18(22)16-6-4-3-5-7-16/h10,13,15-16H,2-9,11-12,14H2,1H3
InChIKeyWUTMIFCCRWZUNR-UHFFFAOYSA-N
MW303.45 g/mol
LogP3.26
Rot. Bonds4

About cyclohexyl-[4-[(2-ethylimidazol-1-yl)methyl]piperidin-1-yl]methanone

cyclohexyl-[4-[(2-ethylimidazol-1-yl)methyl]piperidin-1-yl]methanone (PubChem CID 90492732) has the molecular formula C18H29N3O and a molecular weight of 303.45 g/mol. Its IUPAC name is cyclohexyl-[4-[(2-ethylimidazol-1-yl)methyl]piperidin-1-yl]methanone.

Molecular Properties

Compound Namecyclohexyl-[4-[(2-ethylimidazol-1-yl)methyl]piperidin-1-yl]methanone
PubChem CID90492732
Molecular FormulaC18H29N3O
Molecular Weight303.45 g/mol
Exact Mass303.23
IUPAC Namecyclohexyl-[4-[(2-ethylimidazol-1-yl)methyl]piperidin-1-yl]methanone
SMILESCCc1nccn1CC1CCN(C(=O)C2CCCCC2)CC1
InChIInChI=1S/C18H29N3O/c1-2-17-19-10-13-21(17)14-15-8-11-20(12-9-15)18(22)16-6-4-3-5-7-16/h10,13,15-16H,2-9,11-12,14H2,1H3
InChIKeyWUTMIFCCRWZUNR-UHFFFAOYSA-N
XLogP3.26
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.45
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-cyclohexyl-1-[4-[(2-ethylimidazol-1-yl)methyl]piperidin-1-yl]ethanone
CID 90492733
1-[4-[(2-ethylimidazol-1-yl)methyl]piperidin-1-yl]-2-propylpentan-1-one
CID 90492731
N-cyclohexyl-2-[4-[(2-ethylimidazol-1-yl)methyl]piperidin-1-yl]acetamide
CID 90493994
1-(cyclopropylmethyl)-2-ethylimidazole
CID 63811309
1-(cyclobutanecarbonyl)-N-[2-(2-ethylimidazol-1-yl)ethyl]piperidine-4-carboxamide
CID 72851366
(4-chlorophenyl)-[4-[(2-ethylimidazol-1-yl)methyl]piperidin-1-yl]methanone
CID 90492756
N-(4-chlorophenyl)-4-[(2-ethylimidazol-1-yl)methyl]piperidine-1-carboxamide
CID 90494071
1-(3,4-dimethylphenyl)-4-[4-[(2-ethylimidazol-1-yl)methyl]piperidine-1-carbonyl]pyrrolidin-2-one
CID 90492804
2-(2-chloro-6-fluorophenyl)-1-[4-[(2-ethylimidazol-1-yl)methyl]piperidin-1-yl]ethanone
CID 90493335
(2-bromophenyl)-[4-[(2-ethylimidazol-1-yl)methyl]piperidin-1-yl]methanone
CID 90492757
[4-(dimethylamino)phenyl]-[4-[(2-ethylimidazol-1-yl)methyl]piperidin-1-yl]methanone
CID 90493255
2-(4-chlorophenyl)-1-[4-[(2-ethylimidazol-1-yl)methyl]piperidin-1-yl]ethanone
CID 90492788

Frequently Asked Questions

What is the IUPAC name of cyclohexyl-[4-[(2-ethylimidazol-1-yl)methyl]piperidin-1-yl]methanone?
The IUPAC name of cyclohexyl-[4-[(2-ethylimidazol-1-yl)methyl]piperidin-1-yl]methanone (CID 90492732) is cyclohexyl-[4-[(2-ethylimidazol-1-yl)methyl]piperidin-1-yl]methanone.
What is the SMILES notation for cyclohexyl-[4-[(2-ethylimidazol-1-yl)methyl]piperidin-1-yl]methanone?
The canonical SMILES for cyclohexyl-[4-[(2-ethylimidazol-1-yl)methyl]piperidin-1-yl]methanone is CCc1nccn1CC1CCN(C(=O)C2CCCCC2)CC1.
What is the InChIKey of cyclohexyl-[4-[(2-ethylimidazol-1-yl)methyl]piperidin-1-yl]methanone?
The InChIKey is WUTMIFCCRWZUNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N3O/c1-2-17-19-10-13-21(17)14-15-8-11-20(12-9-15)18(22)16-6-4-3-5-7-16/h10,13,15-16H,2-9,11-12,14H2,1H3.
What are the key properties of cyclohexyl-[4-[(2-ethylimidazol-1-yl)methyl]piperidin-1-yl]methanone?
cyclohexyl-[4-[(2-ethylimidazol-1-yl)methyl]piperidin-1-yl]methanone has a molecular weight of 303.45 g/mol, XLogP of 3.26, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexyl-[4-[(2-ethylimidazol-1-yl)methyl]piperidin-1-yl]methanone is sourced from PubChem (CID 90492732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).