methyl (2R,3S,6S)-6-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-2-formyl-3-(methoxymethoxy)piperidine-1-carboxylate

C28H39NO6Si — CID 10839520

IUPACmethyl (2R,3S,6S)-6-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-2-formyl-3-(methoxymethoxy)piperidine-1-carboxylate
SMILESCOCO[C@H]1CC[C@@H](CCO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)N(C(=O)OC)[C@H]1C=O
InChIInChI=1S/C28H39NO6Si/c1-28(2,3)36(23-12-8-6-9-13-23,24-14-10-7-11-15-24)35-19-18-22-16-17-26(34-21-32-4)25(20-30)29(22)27(31)33-5/h6-15,20,22,25-26H,16-19,21H2,1-5H3/t22-,25-,26-/m0/s1
InChIKeyKBYGVASSONJPMS-HRNNMHKYSA-N
MW513.71 g/mol
LogP3.74
Rot. Bonds10

About methyl (2R,3S,6S)-6-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-2-formyl-3-(methoxymethoxy)piperidine-1-carboxylate

methyl (2R,3S,6S)-6-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-2-formyl-3-(methoxymethoxy)piperidine-1-carboxylate (PubChem CID 10839520) has the molecular formula C28H39NO6Si and a molecular weight of 513.71 g/mol. Its IUPAC name is methyl (2R,3S,6S)-6-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-2-formyl-3-(methoxymethoxy)piperidine-1-carboxylate.

Molecular Properties

Compound Namemethyl (2R,3S,6S)-6-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-2-formyl-3-(methoxymethoxy)piperidine-1-carboxylate
PubChem CID10839520
Molecular FormulaC28H39NO6Si
Molecular Weight513.71 g/mol
Exact Mass513.25
IUPAC Namemethyl (2R,3S,6S)-6-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-2-formyl-3-(methoxymethoxy)piperidine-1-carboxylate
SMILESCOCO[C@H]1CC[C@@H](CCO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)N(C(=O)OC)[C@H]1C=O
InChIInChI=1S/C28H39NO6Si/c1-28(2,3)36(23-12-8-6-9-13-23,24-14-10-7-11-15-24)35-19-18-22-16-17-26(34-21-32-4)25(20-30)29(22)27(31)33-5/h6-15,20,22,25-26H,16-19,21H2,1-5H3/t22-,25-,26-/m0/s1
InChIKeyKBYGVASSONJPMS-HRNNMHKYSA-N
XLogP3.74
TPSA74.30 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500513.71
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze methyl (2R,3S,6S)-6-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-2-formyl-3-(methoxymethoxy)piperidine-1-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[(2S,6R)-1-[4-[tert-butyl(diphenyl)silyl]oxybutanoyl]-6-[(1R)-1-(2-methoxyethoxymethoxy)propyl]piperidin-2-yl]methyl acetate
CID 135025527
1-O-tert-butyl 2-O-methyl (2S,3R)-3-[tert-butyl(diphenyl)silyl]oxypiperidine-1,2-dicarboxylate
CID 170726767
1-O-tert-butyl 2-O-methyl 4-[tert-butyl(diphenyl)silyl]oxypiperidine-1,2-dicarboxylate
CID 170939019
Tert-butyl 2-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-formylpiperidine-1-carboxylate
CID 176127199
(2S,3R)-3-[tert-butyl(diphenyl)silyl]oxy-1-methoxycarbonylpiperidine-2-carboxylic acid
CID 177911633
methyl (2S,3S,6S)-6-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-3-(methoxymethoxy)-2-methylpiperidine-1-carboxylate
CID 10649039
methyl (2S,3S,6S)-6-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-2-(hydroxymethyl)-3-(methoxymethoxy)piperidine-1-carboxylate
CID 10744430
dimethyl (2R,3S,6S)-3-acetyloxy-6-[2-[tert-butyl(diphenyl)silyl]oxyethyl]piperidine-1,2-dicarboxylate
CID 10768838
dimethyl (2R,3S,6S)-6-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-3-(methoxymethoxy)piperidine-1,2-dicarboxylate
CID 10840256
methyl (2R,3R,6R)-6-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-2-(hydroxymethyl)-3-(methoxymethoxy)piperidine-1-carboxylate
CID 11005789
methyl (2R,3R,6R)-6-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-3-(methoxymethoxy)-2-methylpiperidine-1-carboxylate
CID 11060156
2-O-ethoxycarbonyl 1-O-methyl (2R,3S,6S)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-ethenylpiperidine-1,2-dicarboxylate
CID 11261404

Frequently Asked Questions

What is the IUPAC name of methyl (2R,3S,6S)-6-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-2-formyl-3-(methoxymethoxy)piperidine-1-carboxylate?
The IUPAC name of methyl (2R,3S,6S)-6-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-2-formyl-3-(methoxymethoxy)piperidine-1-carboxylate (CID 10839520) is methyl (2R,3S,6S)-6-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-2-formyl-3-(methoxymethoxy)piperidine-1-carboxylate.
What is the SMILES notation for methyl (2R,3S,6S)-6-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-2-formyl-3-(methoxymethoxy)piperidine-1-carboxylate?
The canonical SMILES for methyl (2R,3S,6S)-6-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-2-formyl-3-(methoxymethoxy)piperidine-1-carboxylate is COCO[C@H]1CC[C@@H](CCO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)N(C(=O)OC)[C@H]1C=O.
What is the InChIKey of methyl (2R,3S,6S)-6-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-2-formyl-3-(methoxymethoxy)piperidine-1-carboxylate?
The InChIKey is KBYGVASSONJPMS-HRNNMHKYSA-N. The full InChI is InChI=1S/C28H39NO6Si/c1-28(2,3)36(23-12-8-6-9-13-23,24-14-10-7-11-15-24)35-19-18-22-16-17-26(34-21-32-4)25(20-30)29(22)27(31)33-5/h6-15,20,22,25-26H,16-19,21H2,1-5H3/t22-,25-,26-/m0/s1.
What are the key properties of methyl (2R,3S,6S)-6-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-2-formyl-3-(methoxymethoxy)piperidine-1-carboxylate?
methyl (2R,3S,6S)-6-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-2-formyl-3-(methoxymethoxy)piperidine-1-carboxylate has a molecular weight of 513.71 g/mol, XLogP of 3.74, 10 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R,3S,6S)-6-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-2-formyl-3-(methoxymethoxy)piperidine-1-carboxylate is sourced from PubChem (CID 10839520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).