[(2R,6S)-1-(4-chlorophenyl)sulfonyl-6-cyclohexylpiperidin-2-yl]methyl N-methyl-N-(1-methylpiperidin-4-yl)carbamate

C26H40ClN3O4S — CID 10128622

IUPAC[(2R,6S)-1-(4-chlorophenyl)sulfonyl-6-cyclohexylpiperidin-2-yl]methyl N-methyl-N-(1-methylpiperidin-4-yl)carbamate
SMILESCN1CCC(N(C)C(=O)OC[C@H]2CCC[C@@H](C3CCCCC3)N2S(=O)(=O)c2ccc(Cl)cc2)CC1
InChIInChI=1S/C26H40ClN3O4S/c1-28-17-15-22(16-18-28)29(2)26(31)34-19-23-9-6-10-25(20-7-4-3-5-8-20)30(23)35(32,33)24-13-11-21(27)12-14-24/h11-14,20,22-23,25H,3-10,15-19H2,1-2H3/t23-,25+/m1/s1
InChIKeyMAGVUWKJNBTHPT-NOZRDPDXSA-N
MW526.14 g/mol
LogP4.99
Rot. Bonds6

About [(2R,6S)-1-(4-chlorophenyl)sulfonyl-6-cyclohexylpiperidin-2-yl]methyl N-methyl-N-(1-methylpiperidin-4-yl)carbamate

[(2R,6S)-1-(4-chlorophenyl)sulfonyl-6-cyclohexylpiperidin-2-yl]methyl N-methyl-N-(1-methylpiperidin-4-yl)carbamate (PubChem CID 10128622) has the molecular formula C26H40ClN3O4S and a molecular weight of 526.14 g/mol. Its IUPAC name is [(2R,6S)-1-(4-chlorophenyl)sulfonyl-6-cyclohexylpiperidin-2-yl]methyl N-methyl-N-(1-methylpiperidin-4-yl)carbamate.

Molecular Properties

Compound Name[(2R,6S)-1-(4-chlorophenyl)sulfonyl-6-cyclohexylpiperidin-2-yl]methyl N-methyl-N-(1-methylpiperidin-4-yl)carbamate
PubChem CID10128622
Molecular FormulaC26H40ClN3O4S
Molecular Weight526.14 g/mol
Exact Mass525.24
IUPAC Name[(2R,6S)-1-(4-chlorophenyl)sulfonyl-6-cyclohexylpiperidin-2-yl]methyl N-methyl-N-(1-methylpiperidin-4-yl)carbamate
SMILESCN1CCC(N(C)C(=O)OC[C@H]2CCC[C@@H](C3CCCCC3)N2S(=O)(=O)c2ccc(Cl)cc2)CC1
InChIInChI=1S/C26H40ClN3O4S/c1-28-17-15-22(16-18-28)29(2)26(31)34-19-23-9-6-10-25(20-7-4-3-5-8-20)30(23)35(32,33)24-13-11-21(27)12-14-24/h11-14,20,22-23,25H,3-10,15-19H2,1-2H3/t23-,25+/m1/s1
InChIKeyMAGVUWKJNBTHPT-NOZRDPDXSA-N
XLogP4.99
TPSA70.16 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500526.14
LogP ≤ 54.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [(2R,6S)-1-(4-chlorophenyl)sulfonyl-6-cyclohexylpiperidin-2-yl]methyl N-methyl-N-(1-methylpiperidin-4-yl)carbamate with MolForge

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Related Compounds

[(2S,6R)-1-(4-chlorophenyl)sulfonyl-6-cyclopropylpiperidin-2-yl]methyl (2S)-4-cyclohexyl-2-methylpiperazine-1-carboxylate
CID 58850118
[(2R,6S)-1-(4-chlorophenyl)sulfonyl-6-cyclopropylpiperidin-2-yl]methyl N-(1-benzylpiperidin-4-yl)carbamate
CID 58850357
1-(4-chlorophenyl)sulfonyl-N-cyclohexyl-N-methylpiperidine-4-carboxamide
CID 27670607
[(2S,6R)-1-(4-chlorophenyl)sulfonyl-6-cyclopropylpiperidin-2-yl]methyl 4-pyridin-2-ylpiperazine-1-carboxylate
CID 58850174
[(3R)-1-(4-chlorophenyl)sulfonyl-3,4-dihydro-2H-quinolin-3-yl] N-methyl-N-(1-methylpiperidin-4-yl)carbamate
CID 129382704
(3S)-1-(4-chlorophenyl)sulfonyl-N-cyclohexyl-N-methylpiperidine-3-carboxamide
CID 51617060
(2R)-2-[4-(4-chlorophenyl)sulfonylpiperazin-1-ium-1-yl]-N-cyclohexyl-N-methylpropanamide
CID 8512111
[(2R,6R)-1-(4-chlorophenyl)sulfonyl-6-methylpiperidin-2-yl]methyl 3-(azepan-1-yl)pyrrolidine-1-carboxylate
CID 58850114
[(2S,6R)-1-(4-chlorophenyl)sulfonyl-6-(methoxymethyl)piperidin-2-yl]methyl N-(3-pyrrolidin-1-ylpropyl)carbamate
CID 58850150
[(2R,6S)-6-benzyl-1-(4-chlorophenyl)sulfonylpiperidin-2-yl]methyl 4-cyclohexylpiperazine-1-carboxylate;[(2R,6S)-6-benzyl-1-(4-chlorophenyl)sulfonylpiperidin-2-yl]methyl N-[3-(dimethylamino)propyl]-N-methylcarbamate;[(2R,6S)-6-benzyl-1-(4-chlorophenyl)sulfonylpiperidin-2-yl]methyl N-(3-imidazol-1-ylpropyl)carbamate;[(2R,6S)-6-benzyl-1-(4-chlorophenyl)sulfonylpiperidin-2-yl]methyl N-methyl-N-(1-methylpiperidin-4-yl)carbamate;[(2R,6S)-6-benzyl-1-(4-chlorophenyl)sulfonylpiperidin-2-yl]methyl 4-piperidin-1-ylpiperidine-1-carboxylate;[(2R,6S)-6-benzyl-1-(4-chlorophenyl)sulfonylpiperidin-2-yl]methyl N-(3-pyrrolidin-1-ylpropyl)carbamate
CID 157081095
[(2R,6R)-1-(4-chlorophenyl)sulfonyl-6-methylpiperidin-2-yl]methyl 4-(piperidin-1-ylamino)piperidine-1-carboxylate
CID 163768021
[(2S,6R)-1-(4-chlorophenyl)sulfonyl-6-propan-2-ylpiperidin-2-yl]methyl 4-(2-hydroxyethyl)piperazine-1-carboxylate
CID 58850263

Frequently Asked Questions

What is the IUPAC name of [(2R,6S)-1-(4-chlorophenyl)sulfonyl-6-cyclohexylpiperidin-2-yl]methyl N-methyl-N-(1-methylpiperidin-4-yl)carbamate?
The IUPAC name of [(2R,6S)-1-(4-chlorophenyl)sulfonyl-6-cyclohexylpiperidin-2-yl]methyl N-methyl-N-(1-methylpiperidin-4-yl)carbamate (CID 10128622) is [(2R,6S)-1-(4-chlorophenyl)sulfonyl-6-cyclohexylpiperidin-2-yl]methyl N-methyl-N-(1-methylpiperidin-4-yl)carbamate.
What is the SMILES notation for [(2R,6S)-1-(4-chlorophenyl)sulfonyl-6-cyclohexylpiperidin-2-yl]methyl N-methyl-N-(1-methylpiperidin-4-yl)carbamate?
The canonical SMILES for [(2R,6S)-1-(4-chlorophenyl)sulfonyl-6-cyclohexylpiperidin-2-yl]methyl N-methyl-N-(1-methylpiperidin-4-yl)carbamate is CN1CCC(N(C)C(=O)OC[C@H]2CCC[C@@H](C3CCCCC3)N2S(=O)(=O)c2ccc(Cl)cc2)CC1.
What is the InChIKey of [(2R,6S)-1-(4-chlorophenyl)sulfonyl-6-cyclohexylpiperidin-2-yl]methyl N-methyl-N-(1-methylpiperidin-4-yl)carbamate?
The InChIKey is MAGVUWKJNBTHPT-NOZRDPDXSA-N. The full InChI is InChI=1S/C26H40ClN3O4S/c1-28-17-15-22(16-18-28)29(2)26(31)34-19-23-9-6-10-25(20-7-4-3-5-8-20)30(23)35(32,33)24-13-11-21(27)12-14-24/h11-14,20,22-23,25H,3-10,15-19H2,1-2H3/t23-,25+/m1/s1.
What are the key properties of [(2R,6S)-1-(4-chlorophenyl)sulfonyl-6-cyclohexylpiperidin-2-yl]methyl N-methyl-N-(1-methylpiperidin-4-yl)carbamate?
[(2R,6S)-1-(4-chlorophenyl)sulfonyl-6-cyclohexylpiperidin-2-yl]methyl N-methyl-N-(1-methylpiperidin-4-yl)carbamate has a molecular weight of 526.14 g/mol, XLogP of 4.99, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,6S)-1-(4-chlorophenyl)sulfonyl-6-cyclohexylpiperidin-2-yl]methyl N-methyl-N-(1-methylpiperidin-4-yl)carbamate is sourced from PubChem (CID 10128622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).