[(2R,6R)-1-(4-chlorophenyl)sulfonyl-6-methylpiperidin-2-yl]methyl 4-(piperidin-1-ylamino)piperidine-1-carboxylate

C24H37ClN4O4S — CID 163768021

IUPAC[(2R,6R)-1-(4-chlorophenyl)sulfonyl-6-methylpiperidin-2-yl]methyl 4-(piperidin-1-ylamino)piperidine-1-carboxylate
SMILESC[C@@H]1CCC[C@H](COC(=O)N2CCC(NN3CCCCC3)CC2)N1S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C24H37ClN4O4S/c1-19-6-5-7-22(29(19)34(31,32)23-10-8-20(25)9-11-23)18-33-24(30)27-16-12-21(13-17-27)26-28-14-3-2-4-15-28/h8-11,19,21-22,26H,2-7,12-18H2,1H3/t19-,22-/m1/s1
InChIKeyMEAHFVGJJHEOKU-DENIHFKCSA-N
MW513.10 g/mol
LogP3.86
Rot. Bonds6

About [(2R,6R)-1-(4-chlorophenyl)sulfonyl-6-methylpiperidin-2-yl]methyl 4-(piperidin-1-ylamino)piperidine-1-carboxylate

[(2R,6R)-1-(4-chlorophenyl)sulfonyl-6-methylpiperidin-2-yl]methyl 4-(piperidin-1-ylamino)piperidine-1-carboxylate (PubChem CID 163768021) has the molecular formula C24H37ClN4O4S and a molecular weight of 513.10 g/mol. Its IUPAC name is [(2R,6R)-1-(4-chlorophenyl)sulfonyl-6-methylpiperidin-2-yl]methyl 4-(piperidin-1-ylamino)piperidine-1-carboxylate.

Molecular Properties

Compound Name[(2R,6R)-1-(4-chlorophenyl)sulfonyl-6-methylpiperidin-2-yl]methyl 4-(piperidin-1-ylamino)piperidine-1-carboxylate
PubChem CID163768021
Molecular FormulaC24H37ClN4O4S
Molecular Weight513.10 g/mol
Exact Mass512.22
IUPAC Name[(2R,6R)-1-(4-chlorophenyl)sulfonyl-6-methylpiperidin-2-yl]methyl 4-(piperidin-1-ylamino)piperidine-1-carboxylate
SMILESC[C@@H]1CCC[C@H](COC(=O)N2CCC(NN3CCCCC3)CC2)N1S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C24H37ClN4O4S/c1-19-6-5-7-22(29(19)34(31,32)23-10-8-20(25)9-11-23)18-33-24(30)27-16-12-21(13-17-27)26-28-14-3-2-4-15-28/h8-11,19,21-22,26H,2-7,12-18H2,1H3/t19-,22-/m1/s1
InChIKeyMEAHFVGJJHEOKU-DENIHFKCSA-N
XLogP3.86
TPSA82.19 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500513.10
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [(2R,6R)-1-(4-chlorophenyl)sulfonyl-6-methylpiperidin-2-yl]methyl 4-(piperidin-1-ylamino)piperidine-1-carboxylate with MolForge

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Related Compounds

[(2R,6R)-1-(4-chlorophenyl)sulfonyl-6-methylpiperidin-2-yl]methyl 3-(azepan-1-yl)pyrrolidine-1-carboxylate
CID 58850114
[(2R,6R)-1-(4-chlorophenyl)sulfonyl-6-methylpiperidin-2-yl]methyl 4-pyridin-2-ylpiperazine-1-carboxylate
CID 10152239
[(2R,6R)-1-(4-chlorophenyl)sulfonyl-6-methylpiperidin-2-yl]methyl 4-[2-cyclohexa-1,5-dien-1-ylethyl(methyl)amino]piperidine-1-carboxylate
CID 143020527
[(2R,6R)-1-(4-chlorophenyl)sulfonyl-6-methylpiperidin-2-yl]methyl 3-(1,3-dihydroisoindol-2-yl)piperidine-1-carboxylate
CID 58850229
[1-(4-chlorophenyl)sulfonyl-6-(3,5-difluorophenyl)piperidin-2-yl]methyl 4-piperidin-1-ylpiperidine-1-carboxylate
CID 58850131
[(2S,6R)-1-(4-chlorophenyl)sulfonyl-6-propan-2-ylpiperidin-2-yl]methyl 4-(2-hydroxyethyl)piperazine-1-carboxylate
CID 58850263
[(2S,6R)-1-(4-chlorophenyl)sulfonyl-6-(2,5-difluorophenyl)piperidin-2-yl]methyl 4-cyclohexylpiperazine-1-carboxylate
CID 58850166
[(2R,6R)-1-(benzenesulfonyl)-6-methylpiperidin-2-yl]methyl 4-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)piperidine-1-carboxylate
CID 58850124
[(2R,6S)-1-(4-chlorophenyl)sulfonyl-6-phenylpiperidin-2-yl]methyl (2R)-4-cyclohexyl-2-methylpiperazine-1-carboxylate
CID 58850231
[(2S,6R)-1-(4-chlorophenyl)sulfonyl-6-cyclopropylpiperidin-2-yl]methyl (2S)-4-cyclohexyl-2-methylpiperazine-1-carboxylate
CID 58850118
[(2S,6R)-1-(4-chlorophenyl)sulfonyl-6-(methoxymethyl)piperidin-2-yl]methyl N-(3-pyrrolidin-1-ylpropyl)carbamate
CID 58850150
[(2R)-1-(4-chlorophenyl)sulfonyl-5-methyl-5-phenylpyrrolidin-2-yl]methyl 4-piperidin-1-ylpiperidine-1-carboxylate
CID 163912900

Frequently Asked Questions

What is the IUPAC name of [(2R,6R)-1-(4-chlorophenyl)sulfonyl-6-methylpiperidin-2-yl]methyl 4-(piperidin-1-ylamino)piperidine-1-carboxylate?
The IUPAC name of [(2R,6R)-1-(4-chlorophenyl)sulfonyl-6-methylpiperidin-2-yl]methyl 4-(piperidin-1-ylamino)piperidine-1-carboxylate (CID 163768021) is [(2R,6R)-1-(4-chlorophenyl)sulfonyl-6-methylpiperidin-2-yl]methyl 4-(piperidin-1-ylamino)piperidine-1-carboxylate.
What is the SMILES notation for [(2R,6R)-1-(4-chlorophenyl)sulfonyl-6-methylpiperidin-2-yl]methyl 4-(piperidin-1-ylamino)piperidine-1-carboxylate?
The canonical SMILES for [(2R,6R)-1-(4-chlorophenyl)sulfonyl-6-methylpiperidin-2-yl]methyl 4-(piperidin-1-ylamino)piperidine-1-carboxylate is C[C@@H]1CCC[C@H](COC(=O)N2CCC(NN3CCCCC3)CC2)N1S(=O)(=O)c1ccc(Cl)cc1.
What is the InChIKey of [(2R,6R)-1-(4-chlorophenyl)sulfonyl-6-methylpiperidin-2-yl]methyl 4-(piperidin-1-ylamino)piperidine-1-carboxylate?
The InChIKey is MEAHFVGJJHEOKU-DENIHFKCSA-N. The full InChI is InChI=1S/C24H37ClN4O4S/c1-19-6-5-7-22(29(19)34(31,32)23-10-8-20(25)9-11-23)18-33-24(30)27-16-12-21(13-17-27)26-28-14-3-2-4-15-28/h8-11,19,21-22,26H,2-7,12-18H2,1H3/t19-,22-/m1/s1.
What are the key properties of [(2R,6R)-1-(4-chlorophenyl)sulfonyl-6-methylpiperidin-2-yl]methyl 4-(piperidin-1-ylamino)piperidine-1-carboxylate?
[(2R,6R)-1-(4-chlorophenyl)sulfonyl-6-methylpiperidin-2-yl]methyl 4-(piperidin-1-ylamino)piperidine-1-carboxylate has a molecular weight of 513.10 g/mol, XLogP of 3.86, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,6R)-1-(4-chlorophenyl)sulfonyl-6-methylpiperidin-2-yl]methyl 4-(piperidin-1-ylamino)piperidine-1-carboxylate is sourced from PubChem (CID 163768021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).