[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl] cyclohexanecarboxylate

C16H27NO3 — CID 5140711

IUPAC[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl] cyclohexanecarboxylate
SMILESCC1CCCC(C)N1C(=O)COC(=O)C1CCCCC1
InChIInChI=1S/C16H27NO3/c1-12-7-6-8-13(2)17(12)15(18)11-20-16(19)14-9-4-3-5-10-14/h12-14H,3-11H2,1-2H3
InChIKeyOMUOSQWIJBBJNM-UHFFFAOYSA-N
MW281.40 g/mol
LogP2.90
Rot. Bonds3

About [2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl] cyclohexanecarboxylate

[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl] cyclohexanecarboxylate (PubChem CID 5140711) has the molecular formula C16H27NO3 and a molecular weight of 281.40 g/mol. Its IUPAC name is [2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl] cyclohexanecarboxylate.

Molecular Properties

Compound Name[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl] cyclohexanecarboxylate
PubChem CID5140711
Molecular FormulaC16H27NO3
Molecular Weight281.40 g/mol
Exact Mass281.20
IUPAC Name[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl] cyclohexanecarboxylate
SMILESCC1CCCC(C)N1C(=O)COC(=O)C1CCCCC1
InChIInChI=1S/C16H27NO3/c1-12-7-6-8-13(2)17(12)15(18)11-20-16(19)14-9-4-3-5-10-14/h12-14H,3-11H2,1-2H3
InChIKeyOMUOSQWIJBBJNM-UHFFFAOYSA-N
XLogP2.90
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze [2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl] cyclohexanecarboxylate 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

[2-(2,6-Dimethylpiperidin-1-yl)-2-oxoethyl] 3-cyclopentylpropanoate
CID 4108686
Ethyl 1-[2-(1-methoxycyclohexyl)-2-oxoacetyl]piperidine-2-carboxylate
CID 9927308
1-Methoxyoxalyl-piperidine-2-carboxylic acid 4-cyclohexyl-butyl ester
CID 9819945
Ethyl 1-(2-cyclohexyl-2-oxoacetyl)piperidine-2-carboxylate
CID 9839112
1-Methoxyoxalyl-piperidine-2-carboxylic acid 3-cyclohexyl-propyl ester
CID 9819275
1-Methoxyoxalyl-piperidine-2-carboxylic acid 3-cyclopentyl-propyl ester
CID 9883775
[2-(2,6-Dimethylpiperidin-1-yl)-2-oxoethyl] adamantane-1-carboxylate
CID 4464483
ethyl (2R)-1-[2-(1-methoxycyclohexyl)-2-oxoacetyl]piperidine-2-carboxylate
CID 44338323
Sarcosine, N-(cyclohexylcarbonyl)-, heptyl ester
CID 91692158
Isonipecotic acid, N-(cyclohexylcarbonyl)-, heptyl ester
CID 91736174
Ethyl 1-(4,4-difluorocyclohexanecarbonyl)piperidine-2-carboxylate
CID 81930660
[2-(2,6-Dimethylpiperidin-1-yl)-2-oxoethyl] 4-tert-butylcyclohexane-1-carboxylate
CID 4111993

Frequently Asked Questions

What is the IUPAC name of [2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl] cyclohexanecarboxylate?
The IUPAC name of [2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl] cyclohexanecarboxylate (CID 5140711) is [2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl] cyclohexanecarboxylate.
What is the SMILES notation for [2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl] cyclohexanecarboxylate?
The canonical SMILES for [2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl] cyclohexanecarboxylate is CC1CCCC(C)N1C(=O)COC(=O)C1CCCCC1.
What is the InChIKey of [2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl] cyclohexanecarboxylate?
The InChIKey is OMUOSQWIJBBJNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO3/c1-12-7-6-8-13(2)17(12)15(18)11-20-16(19)14-9-4-3-5-10-14/h12-14H,3-11H2,1-2H3.
What are the key properties of [2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl] cyclohexanecarboxylate?
[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl] cyclohexanecarboxylate has a molecular weight of 281.40 g/mol, XLogP of 2.90, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl] cyclohexanecarboxylate is sourced from PubChem (CID 5140711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).