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

C20H35NO3 — CID 2355263

IUPAC[2-[(2R,6R)-2,6-dimethylpiperidin-1-yl]-2-oxoethyl] 4-tert-butylcyclohexane-1-carboxylate
SMILESC[C@@H]1CCC[C@@H](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/t14-,15-,16?,17?/m1/s1
InChIKeyNNQPAEUIORKJOW-NUWOQIAWSA-N
MW337.50 g/mol
LogP4.17
Rot. Bonds3

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

[2-[(2R,6R)-2,6-dimethylpiperidin-1-yl]-2-oxoethyl] 4-tert-butylcyclohexane-1-carboxylate (PubChem CID 2355263) has the molecular formula C20H35NO3 and a molecular weight of 337.50 g/mol. Its IUPAC name is [2-[(2R,6R)-2,6-dimethylpiperidin-1-yl]-2-oxoethyl] 4-tert-butylcyclohexane-1-carboxylate.

Molecular Properties

Compound Name[2-[(2R,6R)-2,6-dimethylpiperidin-1-yl]-2-oxoethyl] 4-tert-butylcyclohexane-1-carboxylate
PubChem CID2355263
Molecular FormulaC20H35NO3
Molecular Weight337.50 g/mol
Exact Mass337.26
IUPAC Name[2-[(2R,6R)-2,6-dimethylpiperidin-1-yl]-2-oxoethyl] 4-tert-butylcyclohexane-1-carboxylate
SMILESC[C@@H]1CCC[C@@H](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/t14-,15-,16?,17?/m1/s1
InChIKeyNNQPAEUIORKJOW-NUWOQIAWSA-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

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

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Related Compounds

[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl] 4-tert-butylcyclohexane-1-carboxylate
CID 2345841
(4-tert-butylcyclohexanecarbonyl) 4-tert-butylcyclohexane-1-carboperoxoate
CID 101452695
[2-[(2S,6S)-2,6-dimethylpiperidin-1-yl]-2-oxoethyl] 1-(4-chlorobenzoyl)piperidine-4-carboxylate
CID 8635181
[2-[(2R,6R)-2,6-dimethylpiperidin-1-yl]-2-oxoethyl] 1-(phenylcarbamoyl)piperidine-4-carboxylate
CID 7836796
1-[(2R,6S)-2,6-dimethylpiperidin-1-yl]propan-1-one
CID 103715004
ethyl 1-[2-[(2R,6R)-2,6-dimethylpiperidin-1-yl]-2-oxoethyl]piperidin-1-ium-4-carboxylate
CID 7205149
[2-[(2R,6R)-2,6-dimethylpiperidin-1-yl]-2-oxoethyl] 2-benzamidoacetate
CID 9319445
[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl] 2-(adamantane-1-carbonylamino)acetate
CID 4553339
[2-[(2R,6S)-2,6-dimethylpiperidin-1-yl]-2-oxoethyl] 2-(4-chlorophenyl)acetate
CID 2356068
[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl] (3S)-3-(aminomethyl)-5-methylhexanoate;hydrochloride
CID 122155414
[2-[(2R,6R)-2,6-dimethylpiperidin-1-yl]-2-oxoethyl] 2-(4-chlorophenyl)acetate
CID 2356069
[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl] 2-(4-bromophenyl)acetate
CID 3558570

Frequently Asked Questions

What is the IUPAC name of [2-[(2R,6R)-2,6-dimethylpiperidin-1-yl]-2-oxoethyl] 4-tert-butylcyclohexane-1-carboxylate?
The IUPAC name of [2-[(2R,6R)-2,6-dimethylpiperidin-1-yl]-2-oxoethyl] 4-tert-butylcyclohexane-1-carboxylate (CID 2355263) is [2-[(2R,6R)-2,6-dimethylpiperidin-1-yl]-2-oxoethyl] 4-tert-butylcyclohexane-1-carboxylate.
What is the SMILES notation for [2-[(2R,6R)-2,6-dimethylpiperidin-1-yl]-2-oxoethyl] 4-tert-butylcyclohexane-1-carboxylate?
The canonical SMILES for [2-[(2R,6R)-2,6-dimethylpiperidin-1-yl]-2-oxoethyl] 4-tert-butylcyclohexane-1-carboxylate is C[C@@H]1CCC[C@@H](C)N1C(=O)COC(=O)C1CCC(C(C)(C)C)CC1.
What is the InChIKey of [2-[(2R,6R)-2,6-dimethylpiperidin-1-yl]-2-oxoethyl] 4-tert-butylcyclohexane-1-carboxylate?
The InChIKey is NNQPAEUIORKJOW-NUWOQIAWSA-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/t14-,15-,16?,17?/m1/s1.
What are the key properties of [2-[(2R,6R)-2,6-dimethylpiperidin-1-yl]-2-oxoethyl] 4-tert-butylcyclohexane-1-carboxylate?
[2-[(2R,6R)-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-[(2R,6R)-2,6-dimethylpiperidin-1-yl]-2-oxoethyl] 4-tert-butylcyclohexane-1-carboxylate is sourced from PubChem (CID 2355263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).