[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl] 4-tert-butylcyclohexane-1-carboxylate

C20H35NO3 — CID 4111993

IUPAC[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl] 4-tert-butylcyclohexane-1-carboxylate
SMILESCC1CCCC(C)N1C(=O)COC(=O)C1CCC(C(C)(C)C)CC1
InChIInChI=1S/C20H35NO3/c1-14-7-6-8-15(2)21(14)18(22)13-24-19(23)16-9-11-17(12-10-16)20(3,4)5/h14-17H,6-13H2,1-5H3
InChIKeyNNQPAEUIORKJOW-UHFFFAOYSA-N
MW337.50 g/mol
LogP4.17
Rot. Bonds3

About [2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl] 4-tert-butylcyclohexane-1-carboxylate

[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl] 4-tert-butylcyclohexane-1-carboxylate (PubChem CID 4111993) has the molecular formula C20H35NO3 and a molecular weight of 337.50 g/mol. Its IUPAC name is [2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl] 4-tert-butylcyclohexane-1-carboxylate.

Molecular Properties

Compound Name[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl] 4-tert-butylcyclohexane-1-carboxylate
PubChem CID4111993
Molecular FormulaC20H35NO3
Molecular Weight337.50 g/mol
Exact Mass337.26
IUPAC Name[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl] 4-tert-butylcyclohexane-1-carboxylate
SMILESCC1CCCC(C)N1C(=O)COC(=O)C1CCC(C(C)(C)C)CC1
InChIInChI=1S/C20H35NO3/c1-14-7-6-8-15(2)21(14)18(22)13-24-19(23)16-9-11-17(12-10-16)20(3,4)5/h14-17H,6-13H2,1-5H3
InChIKeyNNQPAEUIORKJOW-UHFFFAOYSA-N
XLogP4.17
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.50
LogP ≤ 54.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl] 4-tert-butylcyclohexane-1-carboxylate?
The IUPAC name of [2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl] 4-tert-butylcyclohexane-1-carboxylate (CID 4111993) is [2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl] 4-tert-butylcyclohexane-1-carboxylate.
What is the SMILES notation for [2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl] 4-tert-butylcyclohexane-1-carboxylate?
The canonical SMILES for [2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl] 4-tert-butylcyclohexane-1-carboxylate is CC1CCCC(C)N1C(=O)COC(=O)C1CCC(C(C)(C)C)CC1.
What is the InChIKey of [2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl] 4-tert-butylcyclohexane-1-carboxylate?
The InChIKey is NNQPAEUIORKJOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H35NO3/c1-14-7-6-8-15(2)21(14)18(22)13-24-19(23)16-9-11-17(12-10-16)20(3,4)5/h14-17H,6-13H2,1-5H3.
What are the key properties of [2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl] 4-tert-butylcyclohexane-1-carboxylate?
[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl] 4-tert-butylcyclohexane-1-carboxylate has a molecular weight of 337.50 g/mol, XLogP of 4.17, 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] 4-tert-butylcyclohexane-1-carboxylate is sourced from PubChem (CID 4111993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).