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

C29H39NO4Si — CID 10918023

IUPACmethyl (2S,3S,6S)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-ethenyl-2-(2-oxopropyl)piperidine-1-carboxylate
SMILESC=C[C@@H]1CC[C@@H](CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)N(C(=O)OC)[C@H]1CC(C)=O
InChIInChI=1S/C29H39NO4Si/c1-7-23-18-19-24(30(28(32)33-6)27(23)20-22(2)31)21-34-35(29(3,4)5,25-14-10-8-11-15-25)26-16-12-9-13-17-26/h7-17,23-24,27H,1,18-21H2,2-6H3/t23-,24+,27+/m1/s1
InChIKeyZZZQJXSMHRMPMQ-DXBVXKBHSA-N
MW493.72 g/mol
LogP4.94
Rot. Bonds8

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

methyl (2S,3S,6S)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-ethenyl-2-(2-oxopropyl)piperidine-1-carboxylate (PubChem CID 10918023) has the molecular formula C29H39NO4Si and a molecular weight of 493.72 g/mol. Its IUPAC name is methyl (2S,3S,6S)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-ethenyl-2-(2-oxopropyl)piperidine-1-carboxylate.

Molecular Properties

Compound Namemethyl (2S,3S,6S)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-ethenyl-2-(2-oxopropyl)piperidine-1-carboxylate
PubChem CID10918023
Molecular FormulaC29H39NO4Si
Molecular Weight493.72 g/mol
Exact Mass493.26
IUPAC Namemethyl (2S,3S,6S)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-ethenyl-2-(2-oxopropyl)piperidine-1-carboxylate
SMILESC=C[C@@H]1CC[C@@H](CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)N(C(=O)OC)[C@H]1CC(C)=O
InChIInChI=1S/C29H39NO4Si/c1-7-23-18-19-24(30(28(32)33-6)27(23)20-22(2)31)21-34-35(29(3,4)5,25-14-10-8-11-15-25)26-16-12-9-13-17-26/h7-17,23-24,27H,1,18-21H2,2-6H3/t23-,24+,27+/m1/s1
InChIKeyZZZQJXSMHRMPMQ-DXBVXKBHSA-N
XLogP4.94
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500493.72
LogP ≤ 54.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', '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
methyl (2S,3R,5R,6S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-ethyl-6-(3-hydroxypropyl)-3-propylpiperidine-1-carboxylate
CID 134865127
Methyl 7-[tert-butyl(diphenyl)silyl]oxy-6-[formyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]heptanoate
CID 135070431
(3r,5s)-t-Butyl 3-((t-butyldiphenylsilyl)oxy)-5-(((r)-4-methyl-6-oxocyclohex-1-en-1-yl)methyl)piperidine-1-carboxylate
CID 153639215
tert-butyl (2S,4S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-(4-fluorophenyl)-6-oxopiperidine-1-carboxylate
CID 101157567
tert-butyl (2S,4R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-(4-fluorophenyl)-6-oxopiperidine-1-carboxylate
CID 101157568
tert-butyl (2S,3S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-(3-oxobutyl)-2,3-dihydropyrrole-1-carboxylate
CID 10929279
tert-butyl (2R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-oxopiperidine-1-carboxylate
CID 11730345

Frequently Asked Questions

What is the IUPAC name of methyl (2S,3S,6S)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-ethenyl-2-(2-oxopropyl)piperidine-1-carboxylate?
The IUPAC name of methyl (2S,3S,6S)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-ethenyl-2-(2-oxopropyl)piperidine-1-carboxylate (CID 10918023) is methyl (2S,3S,6S)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-ethenyl-2-(2-oxopropyl)piperidine-1-carboxylate.
What is the SMILES notation for methyl (2S,3S,6S)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-ethenyl-2-(2-oxopropyl)piperidine-1-carboxylate?
The canonical SMILES for methyl (2S,3S,6S)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-ethenyl-2-(2-oxopropyl)piperidine-1-carboxylate is C=C[C@@H]1CC[C@@H](CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)N(C(=O)OC)[C@H]1CC(C)=O.
What is the InChIKey of methyl (2S,3S,6S)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-ethenyl-2-(2-oxopropyl)piperidine-1-carboxylate?
The InChIKey is ZZZQJXSMHRMPMQ-DXBVXKBHSA-N. The full InChI is InChI=1S/C29H39NO4Si/c1-7-23-18-19-24(30(28(32)33-6)27(23)20-22(2)31)21-34-35(29(3,4)5,25-14-10-8-11-15-25)26-16-12-9-13-17-26/h7-17,23-24,27H,1,18-21H2,2-6H3/t23-,24+,27+/m1/s1.
What are the key properties of methyl (2S,3S,6S)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-ethenyl-2-(2-oxopropyl)piperidine-1-carboxylate?
methyl (2S,3S,6S)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-ethenyl-2-(2-oxopropyl)piperidine-1-carboxylate has a molecular weight of 493.72 g/mol, XLogP of 4.94, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2S,3S,6S)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-ethenyl-2-(2-oxopropyl)piperidine-1-carboxylate is sourced from PubChem (CID 10918023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).