[(1R,2S)-2-(piperidin-1-ylmethyl)cyclohexyl] N-(2,4,6-trimethylphenyl)carbamate

C22H34N2O2 — CID 3076226

IUPAC[(1R,2S)-2-(piperidin-1-ylmethyl)cyclohexyl] N-(2,4,6-trimethylphenyl)carbamate
SMILESCc1cc(C)c(NC(=O)O[C@@H]2CCCC[C@H]2CN2CCCCC2)c(C)c1
InChIInChI=1S/C22H34N2O2/c1-16-13-17(2)21(18(3)14-16)23-22(25)26-20-10-6-5-9-19(20)15-24-11-7-4-8-12-24/h13-14,19-20H,4-12,15H2,1-3H3,(H,23,25)/t19-,20+/m0/s1
InChIKeyUIIPJSIZEYBAFH-VQTJNVASSA-N
MW358.53 g/mol
LogP5.21
Rot. Bonds4

About [(1R,2S)-2-(piperidin-1-ylmethyl)cyclohexyl] N-(2,4,6-trimethylphenyl)carbamate

[(1R,2S)-2-(piperidin-1-ylmethyl)cyclohexyl] N-(2,4,6-trimethylphenyl)carbamate (PubChem CID 3076226) has the molecular formula C22H34N2O2 and a molecular weight of 358.53 g/mol. Its IUPAC name is [(1R,2S)-2-(piperidin-1-ylmethyl)cyclohexyl] N-(2,4,6-trimethylphenyl)carbamate.

Molecular Properties

Compound Name[(1R,2S)-2-(piperidin-1-ylmethyl)cyclohexyl] N-(2,4,6-trimethylphenyl)carbamate
PubChem CID3076226
Molecular FormulaC22H34N2O2
Molecular Weight358.53 g/mol
Exact Mass358.26
IUPAC Name[(1R,2S)-2-(piperidin-1-ylmethyl)cyclohexyl] N-(2,4,6-trimethylphenyl)carbamate
SMILESCc1cc(C)c(NC(=O)O[C@@H]2CCCC[C@H]2CN2CCCCC2)c(C)c1
InChIInChI=1S/C22H34N2O2/c1-16-13-17(2)21(18(3)14-16)23-22(25)26-20-10-6-5-9-19(20)15-24-11-7-4-8-12-24/h13-14,19-20H,4-12,15H2,1-3H3,(H,23,25)/t19-,20+/m0/s1
InChIKeyUIIPJSIZEYBAFH-VQTJNVASSA-N
XLogP5.21
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500358.53
LogP ≤ 55.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[2-(piperidin-1-ylmethyl)cyclohexyl] N-(2,4,6-trimethylphenyl)carbamate
CID 14664243
3-piperidin-1-yl-N-(2,4,6-trimethylphenyl)propanamide
CID 683819
4-(azepan-1-yl)-N-(2,4,6-trimethylphenyl)butanamide
CID 3078502
cyclopentyl N-(2-bromo-4,6-dimethylphenyl)carbamate
CID 112738566
[2-oxo-2-(2,4,6-trimethylanilino)ethyl] cyclohexanecarboxylate
CID 2430456
2-[2-(azepan-1-yl)ethylsulfanyl]-N-(2,4,6-trimethylphenyl)acetamide
CID 134064400
(2R)-1-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]piperidine-2-carboxamide
CID 41292691
2-[(3S)-3-methylpiperidin-1-yl]-N-(2,4,6-trimethylphenyl)acetamide
CID 2681954
1-cycloheptyl-3-(2,4,6-trimethylphenyl)urea
CID 47132646
1-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]pyrrolidine-3-carboxylic acid;hydrochloride
CID 119904700
2-[(3R)-3-aminopiperidin-1-yl]-N-(2,4,6-trimethylphenyl)acetamide
CID 102977555
1-[(2R)-2-[(2R)-2-methylpiperidin-1-yl]propyl]-3-(2,4,6-trimethylphenyl)urea
CID 129418976

Frequently Asked Questions

What is the IUPAC name of [(1R,2S)-2-(piperidin-1-ylmethyl)cyclohexyl] N-(2,4,6-trimethylphenyl)carbamate?
The IUPAC name of [(1R,2S)-2-(piperidin-1-ylmethyl)cyclohexyl] N-(2,4,6-trimethylphenyl)carbamate (CID 3076226) is [(1R,2S)-2-(piperidin-1-ylmethyl)cyclohexyl] N-(2,4,6-trimethylphenyl)carbamate.
What is the SMILES notation for [(1R,2S)-2-(piperidin-1-ylmethyl)cyclohexyl] N-(2,4,6-trimethylphenyl)carbamate?
The canonical SMILES for [(1R,2S)-2-(piperidin-1-ylmethyl)cyclohexyl] N-(2,4,6-trimethylphenyl)carbamate is Cc1cc(C)c(NC(=O)O[C@@H]2CCCC[C@H]2CN2CCCCC2)c(C)c1.
What is the InChIKey of [(1R,2S)-2-(piperidin-1-ylmethyl)cyclohexyl] N-(2,4,6-trimethylphenyl)carbamate?
The InChIKey is UIIPJSIZEYBAFH-VQTJNVASSA-N. The full InChI is InChI=1S/C22H34N2O2/c1-16-13-17(2)21(18(3)14-16)23-22(25)26-20-10-6-5-9-19(20)15-24-11-7-4-8-12-24/h13-14,19-20H,4-12,15H2,1-3H3,(H,23,25)/t19-,20+/m0/s1.
What are the key properties of [(1R,2S)-2-(piperidin-1-ylmethyl)cyclohexyl] N-(2,4,6-trimethylphenyl)carbamate?
[(1R,2S)-2-(piperidin-1-ylmethyl)cyclohexyl] N-(2,4,6-trimethylphenyl)carbamate has a molecular weight of 358.53 g/mol, XLogP of 5.21, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,2S)-2-(piperidin-1-ylmethyl)cyclohexyl] N-(2,4,6-trimethylphenyl)carbamate is sourced from PubChem (CID 3076226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).