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

C29H39NO5Si — CID 10994811

IUPACmethyl (2S,3S,6S)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-ethenyl-2-(2-methoxy-2-oxoethyl)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(=O)OC
InChIInChI=1S/C29H39NO5Si/c1-7-22-18-19-23(30(28(32)34-6)26(22)20-27(31)33-5)21-35-36(29(2,3)4,24-14-10-8-11-15-24)25-16-12-9-13-17-25/h7-17,22-23,26H,1,18-21H2,2-6H3/t22-,23+,26+/m1/s1
InChIKeyKGELVDIOTQSMHG-UMFSSWHCSA-N
MW509.72 g/mol
LogP4.53
Rot. Bonds8

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

methyl (2S,3S,6S)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-ethenyl-2-(2-methoxy-2-oxoethyl)piperidine-1-carboxylate (PubChem CID 10994811) has the molecular formula C29H39NO5Si and a molecular weight of 509.72 g/mol. Its IUPAC name is methyl (2S,3S,6S)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-ethenyl-2-(2-methoxy-2-oxoethyl)piperidine-1-carboxylate.

Molecular Properties

Compound Namemethyl (2S,3S,6S)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-ethenyl-2-(2-methoxy-2-oxoethyl)piperidine-1-carboxylate
PubChem CID10994811
Molecular FormulaC29H39NO5Si
Molecular Weight509.72 g/mol
Exact Mass509.26
IUPAC Namemethyl (2S,3S,6S)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-ethenyl-2-(2-methoxy-2-oxoethyl)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(=O)OC
InChIInChI=1S/C29H39NO5Si/c1-7-22-18-19-23(30(28(32)34-6)26(22)20-27(31)33-5)21-35-36(29(2,3)4,24-14-10-8-11-15-24)25-16-12-9-13-17-25/h7-17,22-23,26H,1,18-21H2,2-6H3/t22-,23+,26+/m1/s1
InChIKeyKGELVDIOTQSMHG-UMFSSWHCSA-N
XLogP4.53
TPSA65.07 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500509.72
LogP ≤ 54.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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

methyl (2S,3R,5S,6S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-ethenyl-6-[(E)-3-ethoxy-3-oxoprop-1-enyl]-3-propylpiperidine-1-carboxylate
CID 11585040
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
Diethyl 2,2'-(2,5-dimethyl-3,6-dioxopiperazine-1,4-diyl)bis(4-phenylbutanoate)
CID 10918388
Ramipril EP Impurity O
CID 19067205
2-[[Tert-butyl(dimethyl)silyl]oxymethyl]-3-ethoxycarbonyl-4-(3-phenylphenyl)piperidine-1-carboxylic acid
CID 66589847
1,1-dimethylethyl (2S,5S)-2-({[(1,1-dimethylethyl)(diphenyl)silyl]oxy}methyl)-5-methyl-1-piperidinecarboxylate
CID 67965005
tert-butyl (2S,5S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,3,3,4,4-pentadeuterio-5-methylpiperidine-1-carboxylate
CID 88531552
tert-butyl (2R,4R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-(3-ethoxy-3-oxopropanoyl)piperidine-1-carboxylate
CID 151532741
tert-butyl (2S,4S)-4-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-(3-methoxy-3-oxopropyl)pyrrolidine-1-carboxylate
CID 152358625
(2R,4R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-4-carboxylic acid
CID 153497767

Frequently Asked Questions

What is the IUPAC name of methyl (2S,3S,6S)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-ethenyl-2-(2-methoxy-2-oxoethyl)piperidine-1-carboxylate?
The IUPAC name of methyl (2S,3S,6S)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-ethenyl-2-(2-methoxy-2-oxoethyl)piperidine-1-carboxylate (CID 10994811) is methyl (2S,3S,6S)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-ethenyl-2-(2-methoxy-2-oxoethyl)piperidine-1-carboxylate.
What is the SMILES notation for methyl (2S,3S,6S)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-ethenyl-2-(2-methoxy-2-oxoethyl)piperidine-1-carboxylate?
The canonical SMILES for methyl (2S,3S,6S)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-ethenyl-2-(2-methoxy-2-oxoethyl)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(=O)OC.
What is the InChIKey of methyl (2S,3S,6S)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-ethenyl-2-(2-methoxy-2-oxoethyl)piperidine-1-carboxylate?
The InChIKey is KGELVDIOTQSMHG-UMFSSWHCSA-N. The full InChI is InChI=1S/C29H39NO5Si/c1-7-22-18-19-23(30(28(32)34-6)26(22)20-27(31)33-5)21-35-36(29(2,3)4,24-14-10-8-11-15-24)25-16-12-9-13-17-25/h7-17,22-23,26H,1,18-21H2,2-6H3/t22-,23+,26+/m1/s1.
What are the key properties of methyl (2S,3S,6S)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-ethenyl-2-(2-methoxy-2-oxoethyl)piperidine-1-carboxylate?
methyl (2S,3S,6S)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-ethenyl-2-(2-methoxy-2-oxoethyl)piperidine-1-carboxylate has a molecular weight of 509.72 g/mol, XLogP of 4.53, 8 rotatable bonds, 0 hydrogen bond donors, and 5 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-methoxy-2-oxoethyl)piperidine-1-carboxylate is sourced from PubChem (CID 10994811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).