tert-butyl N-[(2S)-2-[[3-(ethoxymethyl)piperidin-1-yl]methyl]cyclohexyl]carbamate

C20H38N2O3 — CID 143571096

IUPACtert-butyl N-[(2S)-2-[[3-(ethoxymethyl)piperidin-1-yl]methyl]cyclohexyl]carbamate
SMILESCCOCC1CCCN(C[C@@H]2CCCCC2NC(=O)OC(C)(C)C)C1
InChIInChI=1S/C20H38N2O3/c1-5-24-15-16-9-8-12-22(13-16)14-17-10-6-7-11-18(17)21-19(23)25-20(2,3)4/h16-18H,5-15H2,1-4H3,(H,21,23)/t16?,17-,18?/m0/s1
InChIKeyKCRBHALLSRCARD-ADKAHSJRSA-N
MW354.54 g/mol
LogP3.82
Rot. Bonds6

About tert-butyl N-[(2S)-2-[[3-(ethoxymethyl)piperidin-1-yl]methyl]cyclohexyl]carbamate

tert-butyl N-[(2S)-2-[[3-(ethoxymethyl)piperidin-1-yl]methyl]cyclohexyl]carbamate (PubChem CID 143571096) has the molecular formula C20H38N2O3 and a molecular weight of 354.54 g/mol. Its IUPAC name is tert-butyl N-[(2S)-2-[[3-(ethoxymethyl)piperidin-1-yl]methyl]cyclohexyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(2S)-2-[[3-(ethoxymethyl)piperidin-1-yl]methyl]cyclohexyl]carbamate
PubChem CID143571096
Molecular FormulaC20H38N2O3
Molecular Weight354.54 g/mol
Exact Mass354.29
IUPAC Nametert-butyl N-[(2S)-2-[[3-(ethoxymethyl)piperidin-1-yl]methyl]cyclohexyl]carbamate
SMILESCCOCC1CCCN(C[C@@H]2CCCCC2NC(=O)OC(C)(C)C)C1
InChIInChI=1S/C20H38N2O3/c1-5-24-15-16-9-8-12-22(13-16)14-17-10-6-7-11-18(17)21-19(23)25-20(2,3)4/h16-18H,5-15H2,1-4H3,(H,21,23)/t16?,17-,18?/m0/s1
InChIKeyKCRBHALLSRCARD-ADKAHSJRSA-N
XLogP3.82
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.54
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl N-[(1S,2R)-2-[[(3R)-3-ethylpiperidin-1-yl]methyl]cyclohexyl]carbamate
CID 59007612
tert-butyl N-[(2S)-2-[(3-propylpiperidin-1-yl)methyl]cyclohexyl]carbamate
CID 143571188
tert-butyl N-[(1R,2S)-2-[[3-(2-methylpropyl)piperidin-1-yl]methyl]cyclohexyl]carbamate
CID 59007490
tert-butyl N-[(1R,2S)-2-[(3-butylpiperidin-1-yl)methyl]cyclohexyl]carbamate;cis-(1R,2S)-2-[(3-butylpiperidin-1-yl)methyl]cyclohexan-1-amine;hydrochloride
CID 158128680
tert-butyl N-[[4-[[(1S,2R)-2-[[(3R)-3-(ethoxymethyl)piperidin-1-yl]methyl]cyclohexyl]carbamoyl]phenyl]methyl]carbamate;cis-(1S,2R)-2-[[(3R)-3-(ethoxymethyl)piperidin-1-yl]methyl]cyclohexan-1-amine;4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]benzoic acid;dihydrochloride
CID 157423613
cis-(1S,2R)-2-[[(3R)-3-(ethoxymethyl)piperidin-1-yl]methyl]cyclohexan-1-amine;hydrochloride
CID 69043221
tert-butyl N-(2-ethylcyclopentyl)carbamate
CID 131075497
tert-butyl N-[(1S,2S)-2-formylcyclohexyl]carbamate;cis-(1S,2R)-2-(piperidin-1-ylmethyl)cyclohexan-1-amine;dihydrochloride
CID 162120338
methyl 2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]acetate
CID 68804451
cis-(1R,2S)-2-[[3-(ethoxymethyl)piperidin-1-yl]methyl]cyclohexan-1-amine;N-[(1R,2S)-2-[[3-(ethoxymethyl)piperidin-1-yl]methyl]cyclohexyl]-4-imidazol-1-ylbenzamide;4-imidazol-1-ylbenzoic acid;hydrochloride
CID 162080390
tert-butyl N-[(1R,2S)-2-[[4-[(E)-but-2-enoxy]piperidin-1-yl]methyl]cyclohexyl]carbamate
CID 71159934
methyl (3R,4R)-1-(cyclopropylmethyl)-4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-3-carboxylate
CID 175763074

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(2S)-2-[[3-(ethoxymethyl)piperidin-1-yl]methyl]cyclohexyl]carbamate?
The IUPAC name of tert-butyl N-[(2S)-2-[[3-(ethoxymethyl)piperidin-1-yl]methyl]cyclohexyl]carbamate (CID 143571096) is tert-butyl N-[(2S)-2-[[3-(ethoxymethyl)piperidin-1-yl]methyl]cyclohexyl]carbamate.
What is the SMILES notation for tert-butyl N-[(2S)-2-[[3-(ethoxymethyl)piperidin-1-yl]methyl]cyclohexyl]carbamate?
The canonical SMILES for tert-butyl N-[(2S)-2-[[3-(ethoxymethyl)piperidin-1-yl]methyl]cyclohexyl]carbamate is CCOCC1CCCN(C[C@@H]2CCCCC2NC(=O)OC(C)(C)C)C1.
What is the InChIKey of tert-butyl N-[(2S)-2-[[3-(ethoxymethyl)piperidin-1-yl]methyl]cyclohexyl]carbamate?
The InChIKey is KCRBHALLSRCARD-ADKAHSJRSA-N. The full InChI is InChI=1S/C20H38N2O3/c1-5-24-15-16-9-8-12-22(13-16)14-17-10-6-7-11-18(17)21-19(23)25-20(2,3)4/h16-18H,5-15H2,1-4H3,(H,21,23)/t16?,17-,18?/m0/s1.
What are the key properties of tert-butyl N-[(2S)-2-[[3-(ethoxymethyl)piperidin-1-yl]methyl]cyclohexyl]carbamate?
tert-butyl N-[(2S)-2-[[3-(ethoxymethyl)piperidin-1-yl]methyl]cyclohexyl]carbamate has a molecular weight of 354.54 g/mol, XLogP of 3.82, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(2S)-2-[[3-(ethoxymethyl)piperidin-1-yl]methyl]cyclohexyl]carbamate is sourced from PubChem (CID 143571096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).