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

C28H37NO5Si — CID 11027439

IUPACmethyl (2S,3R,6S)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-formyl-2-(2-oxopropyl)piperidine-1-carboxylate
SMILESCOC(=O)N1[C@H](CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)CC[C@@H](C=O)[C@@H]1CC(C)=O
InChIInChI=1S/C28H37NO5Si/c1-21(31)18-26-22(19-30)16-17-23(29(26)27(32)33-5)20-34-35(28(2,3)4,24-12-8-6-9-13-24)25-14-10-7-11-15-25/h6-15,19,22-23,26H,16-18,20H2,1-5H3/t22-,23-,26-/m0/s1
InChIKeySJXXNBJDRHZYHV-FXSPECFOSA-N
MW495.69 g/mol
LogP3.96
Rot. Bonds8

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

methyl (2S,3R,6S)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-formyl-2-(2-oxopropyl)piperidine-1-carboxylate (PubChem CID 11027439) has the molecular formula C28H37NO5Si and a molecular weight of 495.69 g/mol. Its IUPAC name is methyl (2S,3R,6S)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-formyl-2-(2-oxopropyl)piperidine-1-carboxylate.

Molecular Properties

Compound Namemethyl (2S,3R,6S)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-formyl-2-(2-oxopropyl)piperidine-1-carboxylate
PubChem CID11027439
Molecular FormulaC28H37NO5Si
Molecular Weight495.69 g/mol
Exact Mass495.24
IUPAC Namemethyl (2S,3R,6S)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-formyl-2-(2-oxopropyl)piperidine-1-carboxylate
SMILESCOC(=O)N1[C@H](CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)CC[C@@H](C=O)[C@@H]1CC(C)=O
InChIInChI=1S/C28H37NO5Si/c1-21(31)18-26-22(19-30)16-17-23(29(26)27(32)33-5)20-34-35(28(2,3)4,24-12-8-6-9-13-24)25-14-10-7-11-15-25/h6-15,19,22-23,26H,16-18,20H2,1-5H3/t22-,23-,26-/m0/s1
InChIKeySJXXNBJDRHZYHV-FXSPECFOSA-N
XLogP3.96
TPSA72.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500495.69
LogP ≤ 53.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

tert-butyl (2R)-5-[6-[tert-butyl(diphenyl)silyl]oxy-2,2-difluoro-4-methylidenehexanoyl]-2-methyl-4-oxopiperidine-1-carboxylate
CID 155727953
Tert-butyl 5-[6-[tert-butyl(diphenyl)silyl]oxy-2,2-difluoro-4-methylidenehexanoyl]-2-methyl-4-oxopiperidine-1-carboxylate
CID 173901154
Butyl 5-[6-[tert-butyl(diphenyl)silyl]oxy-2,2-difluoro-4-methylidenehexanoyl]-2-methyl-4-oxopiperidine-1-carboxylate
CID 173901237
tert-butyl (2R,5R)-5-[6-[tert-butyl(diphenyl)silyl]oxy-2,2-difluoro-4-methylidenehexanoyl]-2-methyl-4-oxopiperidine-1-carboxylate
CID 175193653
dimethyl (2R,3S,5R,6S)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-ethenyl-5-propylpiperidine-1,2-dicarboxylate
CID 11591931
tert-butyl (2S,3S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-(3-oxobutyl)-2,3-dihydropyrrole-1-carboxylate
CID 10929279
tert-butyl-[(1R,2R,5S)-2-[tert-butyl(diphenyl)silyl]oxy-5-(2-oxoethyl)cyclohexyl]carbamic acid
CID 87981203
tert-butyl (2R,4R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-(3-ethoxy-3-oxopropanoyl)piperidine-1-carboxylate
CID 151532741
2-[[Tert-butyl(diphenyl)silyl]oxymethyl]-4-(3-ethoxy-3-oxopropanoyl)piperidine-1-carboxylic acid
CID 155658317
Tert-butyl 2-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-(2-methylpropyl)-6-oxopiperidine-1-carboxylate
CID 163246004
Tert-butyl 2-[[tert-butyl(diphenyl)silyl]oxymethyl]-3,3-dimethyl-6-oxopiperidine-1-carboxylate
CID 163246432
Tert-butyl 2-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-oxo-3-propan-2-ylpiperidine-1-carboxylate
CID 163246447

Frequently Asked Questions

What is the IUPAC name of methyl (2S,3R,6S)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-formyl-2-(2-oxopropyl)piperidine-1-carboxylate?
The IUPAC name of methyl (2S,3R,6S)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-formyl-2-(2-oxopropyl)piperidine-1-carboxylate (CID 11027439) is methyl (2S,3R,6S)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-formyl-2-(2-oxopropyl)piperidine-1-carboxylate.
What is the SMILES notation for methyl (2S,3R,6S)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-formyl-2-(2-oxopropyl)piperidine-1-carboxylate?
The canonical SMILES for methyl (2S,3R,6S)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-formyl-2-(2-oxopropyl)piperidine-1-carboxylate is COC(=O)N1[C@H](CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)CC[C@@H](C=O)[C@@H]1CC(C)=O.
What is the InChIKey of methyl (2S,3R,6S)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-formyl-2-(2-oxopropyl)piperidine-1-carboxylate?
The InChIKey is SJXXNBJDRHZYHV-FXSPECFOSA-N. The full InChI is InChI=1S/C28H37NO5Si/c1-21(31)18-26-22(19-30)16-17-23(29(26)27(32)33-5)20-34-35(28(2,3)4,24-12-8-6-9-13-24)25-14-10-7-11-15-25/h6-15,19,22-23,26H,16-18,20H2,1-5H3/t22-,23-,26-/m0/s1.
What are the key properties of methyl (2S,3R,6S)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-formyl-2-(2-oxopropyl)piperidine-1-carboxylate?
methyl (2S,3R,6S)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-formyl-2-(2-oxopropyl)piperidine-1-carboxylate has a molecular weight of 495.69 g/mol, XLogP of 3.96, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2S,3R,6S)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-formyl-2-(2-oxopropyl)piperidine-1-carboxylate is sourced from PubChem (CID 11027439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).