methyl (3R,4S)-4-(methanesulfonamido)-3-[[4-(1-methylindazol-5-yl)cyclohexyl]methoxy]piperidine-1-carboxylate

C23H34N4O5S — CID 170638731

IUPACmethyl (3R,4S)-4-(methanesulfonamido)-3-[[4-(1-methylindazol-5-yl)cyclohexyl]methoxy]piperidine-1-carboxylate
SMILESCOC(=O)N1CC[C@H](NS(C)(=O)=O)[C@H](OCC2CCC(c3ccc4c(cnn4C)c3)CC2)C1
InChIInChI=1S/C23H34N4O5S/c1-26-21-9-8-18(12-19(21)13-24-26)17-6-4-16(5-7-17)15-32-22-14-27(23(28)31-2)11-10-20(22)25-33(3,29)30/h8-9,12-13,16-17,20,22,25H,4-7,10-11,14-15H2,1-3H3/t16?,17?,20-,22+/m0/s1
InChIKeyOZKRGNBROYKXES-MPPJEYDWSA-N
MW478.62 g/mol
LogP2.62
Rot. Bonds6

About methyl (3R,4S)-4-(methanesulfonamido)-3-[[4-(1-methylindazol-5-yl)cyclohexyl]methoxy]piperidine-1-carboxylate

methyl (3R,4S)-4-(methanesulfonamido)-3-[[4-(1-methylindazol-5-yl)cyclohexyl]methoxy]piperidine-1-carboxylate (PubChem CID 170638731) has the molecular formula C23H34N4O5S and a molecular weight of 478.62 g/mol. Its IUPAC name is methyl (3R,4S)-4-(methanesulfonamido)-3-[[4-(1-methylindazol-5-yl)cyclohexyl]methoxy]piperidine-1-carboxylate.

Molecular Properties

Compound Namemethyl (3R,4S)-4-(methanesulfonamido)-3-[[4-(1-methylindazol-5-yl)cyclohexyl]methoxy]piperidine-1-carboxylate
PubChem CID170638731
Molecular FormulaC23H34N4O5S
Molecular Weight478.62 g/mol
Exact Mass478.22
IUPAC Namemethyl (3R,4S)-4-(methanesulfonamido)-3-[[4-(1-methylindazol-5-yl)cyclohexyl]methoxy]piperidine-1-carboxylate
SMILESCOC(=O)N1CC[C@H](NS(C)(=O)=O)[C@H](OCC2CCC(c3ccc4c(cnn4C)c3)CC2)C1
InChIInChI=1S/C23H34N4O5S/c1-26-21-9-8-18(12-19(21)13-24-26)17-6-4-16(5-7-17)15-32-22-14-27(23(28)31-2)11-10-20(22)25-33(3,29)30/h8-9,12-13,16-17,20,22,25H,4-7,10-11,14-15H2,1-3H3/t16?,17?,20-,22+/m0/s1
InChIKeyOZKRGNBROYKXES-MPPJEYDWSA-N
XLogP2.62
TPSA102.76 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.62
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze methyl (3R,4S)-4-(methanesulfonamido)-3-[[4-(1-methylindazol-5-yl)cyclohexyl]methoxy]piperidine-1-carboxylate with MolForge

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Related Compounds

N-[(3R,4S)-3-[[4-(1-methylindazol-5-yl)cyclohexyl]methoxy]-1-(1,3-thiazole-5-carbonyl)piperidin-4-yl]methanesulfonamide
CID 170638728
N-[(3R,4S)-1-(cyclopropanecarbonyl)-3-[[4-(1-methylindazol-5-yl)cyclohexyl]oxymethyl]piperidin-4-yl]methanesulfonamide
CID 170638509
N-[(3R,4S)-1-(cyclopropanecarbonyl)-3-[(4-phenylcyclohexyl)methoxy]piperidin-4-yl]methanesulfonamide
CID 170638795
N-[(3S,4R)-1-(1-fluorocyclobutanecarbonyl)-3-[(4-phenylcyclohexyl)methoxy]piperidin-4-yl]methanesulfonamide
CID 176822176
2,2-dimethyl-1-[3-[[4-(1-methylindazol-5-yl)cyclohexyl]oxymethyl]-4-(methylsulfanylamino)piperidin-1-yl]propan-1-one
CID 170638497
N-[(3R,4S)-3-[[4-(3-methylbenzimidazol-5-yl)cyclohexyl]methoxy]-1-pyridin-2-ylpiperidin-4-yl]methanesulfonamide
CID 170638740
N-[(3R,4S)-3-[[4-(1-methylindazol-6-yl)cyclohexyl]oxymethyl]piperidin-4-yl]methanesulfonamide
CID 170638579
N-[(3S,4R)-1-(1-methylimidazol-4-yl)-3-[(4-phenylcyclohexyl)methoxy]piperidin-4-yl]methanesulfonamide
CID 176822211
(3R,4S)-1-(3,3-difluorocyclopentanecarbonyl)-4-(dimethylsulfamoylamino)-3-[[4-(3-fluorophenyl)cyclohexyl]methoxy]piperidine
CID 176822214
1-methyl-5-(4-propan-2-ylcyclohexyl)indazole
CID 140629080
N-[(3S,4R)-1-[(1-fluorocyclobutyl)methyl]-3-[(4-phenylcyclohexyl)methoxy]piperidin-4-yl]methanesulfonamide
CID 176822202
3-[[4-(1-methylindazol-5-yl)cyclohexyl]oxymethyl]-N-methylsulfanylpiperidin-4-amine
CID 170638488

Frequently Asked Questions

What is the IUPAC name of methyl (3R,4S)-4-(methanesulfonamido)-3-[[4-(1-methylindazol-5-yl)cyclohexyl]methoxy]piperidine-1-carboxylate?
The IUPAC name of methyl (3R,4S)-4-(methanesulfonamido)-3-[[4-(1-methylindazol-5-yl)cyclohexyl]methoxy]piperidine-1-carboxylate (CID 170638731) is methyl (3R,4S)-4-(methanesulfonamido)-3-[[4-(1-methylindazol-5-yl)cyclohexyl]methoxy]piperidine-1-carboxylate.
What is the SMILES notation for methyl (3R,4S)-4-(methanesulfonamido)-3-[[4-(1-methylindazol-5-yl)cyclohexyl]methoxy]piperidine-1-carboxylate?
The canonical SMILES for methyl (3R,4S)-4-(methanesulfonamido)-3-[[4-(1-methylindazol-5-yl)cyclohexyl]methoxy]piperidine-1-carboxylate is COC(=O)N1CC[C@H](NS(C)(=O)=O)[C@H](OCC2CCC(c3ccc4c(cnn4C)c3)CC2)C1.
What is the InChIKey of methyl (3R,4S)-4-(methanesulfonamido)-3-[[4-(1-methylindazol-5-yl)cyclohexyl]methoxy]piperidine-1-carboxylate?
The InChIKey is OZKRGNBROYKXES-MPPJEYDWSA-N. The full InChI is InChI=1S/C23H34N4O5S/c1-26-21-9-8-18(12-19(21)13-24-26)17-6-4-16(5-7-17)15-32-22-14-27(23(28)31-2)11-10-20(22)25-33(3,29)30/h8-9,12-13,16-17,20,22,25H,4-7,10-11,14-15H2,1-3H3/t16?,17?,20-,22+/m0/s1.
What are the key properties of methyl (3R,4S)-4-(methanesulfonamido)-3-[[4-(1-methylindazol-5-yl)cyclohexyl]methoxy]piperidine-1-carboxylate?
methyl (3R,4S)-4-(methanesulfonamido)-3-[[4-(1-methylindazol-5-yl)cyclohexyl]methoxy]piperidine-1-carboxylate has a molecular weight of 478.62 g/mol, XLogP of 2.62, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (3R,4S)-4-(methanesulfonamido)-3-[[4-(1-methylindazol-5-yl)cyclohexyl]methoxy]piperidine-1-carboxylate is sourced from PubChem (CID 170638731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).