tert-butyl (2S,4S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-(4-fluorophenyl)-6-oxopiperidine-1-carboxylate

C33H40FNO4Si — CID 101157567

IUPACtert-butyl (2S,4S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-(4-fluorophenyl)-6-oxopiperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1C(=O)C[C@@H](c2ccc(F)cc2)C[C@H]1CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C33H40FNO4Si/c1-32(2,3)39-31(37)35-27(21-25(22-30(35)36)24-17-19-26(34)20-18-24)23-38-40(33(4,5)6,28-13-9-7-10-14-28)29-15-11-8-12-16-29/h7-20,25,27H,21-23H2,1-6H3/t25-,27-/m0/s1
InChIKeyQMGIEKKNLPAFHG-BDYUSTAISA-N
MW561.77 g/mol
LogP6.41
Rot. Bonds6

About tert-butyl (2S,4S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-(4-fluorophenyl)-6-oxopiperidine-1-carboxylate

tert-butyl (2S,4S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-(4-fluorophenyl)-6-oxopiperidine-1-carboxylate (PubChem CID 101157567) has the molecular formula C33H40FNO4Si and a molecular weight of 561.77 g/mol. Its IUPAC name is tert-butyl (2S,4S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-(4-fluorophenyl)-6-oxopiperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (2S,4S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-(4-fluorophenyl)-6-oxopiperidine-1-carboxylate
PubChem CID101157567
Molecular FormulaC33H40FNO4Si
Molecular Weight561.77 g/mol
Exact Mass561.27
IUPAC Nametert-butyl (2S,4S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-(4-fluorophenyl)-6-oxopiperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1C(=O)C[C@@H](c2ccc(F)cc2)C[C@H]1CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C33H40FNO4Si/c1-32(2,3)39-31(37)35-27(21-25(22-30(35)36)24-17-19-26(34)20-18-24)23-38-40(33(4,5)6,28-13-9-7-10-14-28)29-15-11-8-12-16-29/h7-20,25,27H,21-23H2,1-6H3/t25-,27-/m0/s1
InChIKeyQMGIEKKNLPAFHG-BDYUSTAISA-N
XLogP6.41
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500561.77
LogP ≤ 56.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

[(2S)-1-[tert-butyl(diphenyl)silyl]oxy-5-fluoro-6-oxohexan-2-yl]-(4-methyl-1-phenylpentan-2-yl)carbamic acid
CID 89916922
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
tert-butyl (2S,3R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-(4-octylphenyl)-5-oxopyrrolidine-1-carboxylate
CID 134853168
(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,4R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-(4-fluorophenyl)-6-oxopiperidine-1-carboxylate
CID 101157568
5-(tert-Butyl-diphenyl-silanyloxy)-4-(4-fluoro-phenyl)-2-oxo-piperidine-1-carboxylic acid tert-butyl ester
CID 133655840
(3S,5R,6R)-1,3,6-tribenzyl-5-[tert-butyl(dimethyl)silyl]oxypiperidin-2-one
CID 59032219
tert-butyl (2R,3R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-(4-octylphenyl)-5-oxopyrrolidine-1-carboxylate
CID 140910682
tert-butyl (2R,3S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-(4-octylphenyl)-5-oxopyrrolidine-1-carboxylate
CID 140910690

Frequently Asked Questions

What is the IUPAC name of tert-butyl (2S,4S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-(4-fluorophenyl)-6-oxopiperidine-1-carboxylate?
The IUPAC name of tert-butyl (2S,4S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-(4-fluorophenyl)-6-oxopiperidine-1-carboxylate (CID 101157567) is tert-butyl (2S,4S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-(4-fluorophenyl)-6-oxopiperidine-1-carboxylate.
What is the SMILES notation for tert-butyl (2S,4S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-(4-fluorophenyl)-6-oxopiperidine-1-carboxylate?
The canonical SMILES for tert-butyl (2S,4S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-(4-fluorophenyl)-6-oxopiperidine-1-carboxylate is CC(C)(C)OC(=O)N1C(=O)C[C@@H](c2ccc(F)cc2)C[C@H]1CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C.
What is the InChIKey of tert-butyl (2S,4S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-(4-fluorophenyl)-6-oxopiperidine-1-carboxylate?
The InChIKey is QMGIEKKNLPAFHG-BDYUSTAISA-N. The full InChI is InChI=1S/C33H40FNO4Si/c1-32(2,3)39-31(37)35-27(21-25(22-30(35)36)24-17-19-26(34)20-18-24)23-38-40(33(4,5)6,28-13-9-7-10-14-28)29-15-11-8-12-16-29/h7-20,25,27H,21-23H2,1-6H3/t25-,27-/m0/s1.
What are the key properties of tert-butyl (2S,4S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-(4-fluorophenyl)-6-oxopiperidine-1-carboxylate?
tert-butyl (2S,4S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-(4-fluorophenyl)-6-oxopiperidine-1-carboxylate has a molecular weight of 561.77 g/mol, XLogP of 6.41, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (2S,4S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-(4-fluorophenyl)-6-oxopiperidine-1-carboxylate is sourced from PubChem (CID 101157567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).