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

C19H31N3O — CID 90492733

IUPAC2-cyclohexyl-1-[4-[(2-ethylimidazol-1-yl)methyl]piperidin-1-yl]ethanone
SMILESCCc1nccn1CC1CCN(C(=O)CC2CCCCC2)CC1
InChIInChI=1S/C19H31N3O/c1-2-18-20-10-13-22(18)15-17-8-11-21(12-9-17)19(23)14-16-6-4-3-5-7-16/h10,13,16-17H,2-9,11-12,14-15H2,1H3
InChIKeyUNPJVAMQJHAZIH-UHFFFAOYSA-N
MW317.48 g/mol
LogP3.65
Rot. Bonds5

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

2-cyclohexyl-1-[4-[(2-ethylimidazol-1-yl)methyl]piperidin-1-yl]ethanone (PubChem CID 90492733) has the molecular formula C19H31N3O and a molecular weight of 317.48 g/mol. Its IUPAC name is 2-cyclohexyl-1-[4-[(2-ethylimidazol-1-yl)methyl]piperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-cyclohexyl-1-[4-[(2-ethylimidazol-1-yl)methyl]piperidin-1-yl]ethanone
PubChem CID90492733
Molecular FormulaC19H31N3O
Molecular Weight317.48 g/mol
Exact Mass317.25
IUPAC Name2-cyclohexyl-1-[4-[(2-ethylimidazol-1-yl)methyl]piperidin-1-yl]ethanone
SMILESCCc1nccn1CC1CCN(C(=O)CC2CCCCC2)CC1
InChIInChI=1S/C19H31N3O/c1-2-18-20-10-13-22(18)15-17-8-11-21(12-9-17)19(23)14-16-6-4-3-5-7-16/h10,13,16-17H,2-9,11-12,14-15H2,1H3
InChIKeyUNPJVAMQJHAZIH-UHFFFAOYSA-N
XLogP3.65
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.48
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

cyclohexyl-[4-[(2-ethylimidazol-1-yl)methyl]piperidin-1-yl]methanone
CID 90492732
2-(4-chlorophenyl)-1-[4-[(2-ethylimidazol-1-yl)methyl]piperidin-1-yl]ethanone
CID 90492788
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-[4-[(2-ethylimidazol-1-yl)methyl]piperidin-1-yl]-2-(4-methylphenoxy)ethanone
CID 90492782
1-(cyclopropylmethyl)-2-ethylimidazole
CID 63811309
2-[2-[4-[(2-ethylimidazol-1-yl)methyl]piperidin-1-yl]-2-oxoethyl]isoindole-1,3-dione
CID 90493325
(4-chlorophenyl)-[4-[(2-ethylimidazol-1-yl)methyl]piperidin-1-yl]methanone
CID 90492756
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
[4-[(2-ethylimidazol-1-yl)methyl]piperidin-1-yl]-naphthalen-2-ylmethanone
CID 90492768

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-1-[4-[(2-ethylimidazol-1-yl)methyl]piperidin-1-yl]ethanone?
The IUPAC name of 2-cyclohexyl-1-[4-[(2-ethylimidazol-1-yl)methyl]piperidin-1-yl]ethanone (CID 90492733) is 2-cyclohexyl-1-[4-[(2-ethylimidazol-1-yl)methyl]piperidin-1-yl]ethanone.
What is the SMILES notation for 2-cyclohexyl-1-[4-[(2-ethylimidazol-1-yl)methyl]piperidin-1-yl]ethanone?
The canonical SMILES for 2-cyclohexyl-1-[4-[(2-ethylimidazol-1-yl)methyl]piperidin-1-yl]ethanone is CCc1nccn1CC1CCN(C(=O)CC2CCCCC2)CC1.
What is the InChIKey of 2-cyclohexyl-1-[4-[(2-ethylimidazol-1-yl)methyl]piperidin-1-yl]ethanone?
The InChIKey is UNPJVAMQJHAZIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31N3O/c1-2-18-20-10-13-22(18)15-17-8-11-21(12-9-17)19(23)14-16-6-4-3-5-7-16/h10,13,16-17H,2-9,11-12,14-15H2,1H3.
What are the key properties of 2-cyclohexyl-1-[4-[(2-ethylimidazol-1-yl)methyl]piperidin-1-yl]ethanone?
2-cyclohexyl-1-[4-[(2-ethylimidazol-1-yl)methyl]piperidin-1-yl]ethanone has a molecular weight of 317.48 g/mol, XLogP of 3.65, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-1-[4-[(2-ethylimidazol-1-yl)methyl]piperidin-1-yl]ethanone is sourced from PubChem (CID 90492733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).