tert-butyl (4S,5R)-4-[tert-butyl(diphenyl)silyl]oxy-2-methylidene-5-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-1-carboxylate

C32H46N2O5Si — CID 11527005

IUPACtert-butyl (4S,5R)-4-[tert-butyl(diphenyl)silyl]oxy-2-methylidene-5-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-1-carboxylate
SMILESC=C1C[C@H](O[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)[C@H](NC(=O)OC(C)(C)C)CN1C(=O)OC(C)(C)C
InChIInChI=1S/C32H46N2O5Si/c1-23-21-27(26(33-28(35)37-30(2,3)4)22-34(23)29(36)38-31(5,6)7)39-40(32(8,9)10,24-17-13-11-14-18-24)25-19-15-12-16-20-25/h11-20,26-27H,1,21-22H2,2-10H3,(H,33,35)/t26-,27+/m1/s1
InChIKeyCXJJRERWAAOQIU-SXOMAYOGSA-N
MW566.82 g/mol
LogP5.98
Rot. Bonds5

About tert-butyl (4S,5R)-4-[tert-butyl(diphenyl)silyl]oxy-2-methylidene-5-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-1-carboxylate

tert-butyl (4S,5R)-4-[tert-butyl(diphenyl)silyl]oxy-2-methylidene-5-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-1-carboxylate (PubChem CID 11527005) has the molecular formula C32H46N2O5Si and a molecular weight of 566.82 g/mol. Its IUPAC name is tert-butyl (4S,5R)-4-[tert-butyl(diphenyl)silyl]oxy-2-methylidene-5-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (4S,5R)-4-[tert-butyl(diphenyl)silyl]oxy-2-methylidene-5-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-1-carboxylate
PubChem CID11527005
Molecular FormulaC32H46N2O5Si
Molecular Weight566.82 g/mol
Exact Mass566.32
IUPAC Nametert-butyl (4S,5R)-4-[tert-butyl(diphenyl)silyl]oxy-2-methylidene-5-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-1-carboxylate
SMILESC=C1C[C@H](O[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)[C@H](NC(=O)OC(C)(C)C)CN1C(=O)OC(C)(C)C
InChIInChI=1S/C32H46N2O5Si/c1-23-21-27(26(33-28(35)37-30(2,3)4)22-34(23)29(36)38-31(5,6)7)39-40(32(8,9)10,24-17-13-11-14-18-24)25-19-15-12-16-20-25/h11-20,26-27H,1,21-22H2,2-10H3,(H,33,35)/t26-,27+/m1/s1
InChIKeyCXJJRERWAAOQIU-SXOMAYOGSA-N
XLogP5.98
TPSA77.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500566.82
LogP ≤ 55.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl N-[2-[2-[tert-butyl(diphenyl)silyl]oxyethyl-methylamino]-3,3,3-trifluoropropyl]carbamate
CID 163278252
tert-butyl (4S,5R)-4-[tert-butyl(diphenyl)silyl]oxy-5-[(2-methylpropan-2-yl)oxycarbonylamino]-2-oxopiperidine-1-carboxylate
CID 11713890
tert-butyl N-[(2S)-2-[tert-butyl(diphenyl)silyl]oxy-4-(propan-2-ylamino)butyl]-N-methylcarbamate
CID 58007047
tert-butyl (2R,5R)-2-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-5-(propan-2-ylamino)piperidine-1-carboxylate
CID 58376791
tert-butyl (3R)-3-[[tert-butyl(diphenyl)silyl]oxymethyl]piperazine-1-carboxylate
CID 59465678
tert-Butyl 4-[4-({[tert-butyl(diphenyl)silyl]oxy}methyl)-2-oxo-2,3-dihydro-1H-imidazol-1-yl]piperidine-1-carboxylate
CID 68567938
[(S)-1-aminomethyl-2-(tert-butyl-diphenyl-silanyloxy)-ethyl]-carbamic acid tert-butyl ester
CID 68774675
[(3S)-3-[tert-butyl(diphenyl)silyl]oxy-4-[(2-methylpropan-2-yl)oxycarbonylamino]butyl]-propan-2-ylcarbamic acid
CID 68805186
Tert-butyl 3-[[tert-butyl(diphenyl)silyl]oxymethyl]piperazine-1-carboxylate
CID 72293385
tert-butyl N-[1-amino-3-[tert-butyl(diphenyl)silyl]oxypropan-2-yl]carbamate
CID 77570449
Tert-butyl [trans-4-(3-{[tert-butyl(diphenyl)silyl]oxy}azetidin-1-yl)cyclohexyl]carbamate
CID 86762261
tert-butyl-[(5S)-6-[tert-butyl(diphenyl)silyl]oxy-5-[(2-methylpropan-2-yl)oxycarbonylamino]hexyl]carbamic acid
CID 89917283

Frequently Asked Questions

What is the IUPAC name of tert-butyl (4S,5R)-4-[tert-butyl(diphenyl)silyl]oxy-2-methylidene-5-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-1-carboxylate?
The IUPAC name of tert-butyl (4S,5R)-4-[tert-butyl(diphenyl)silyl]oxy-2-methylidene-5-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-1-carboxylate (CID 11527005) is tert-butyl (4S,5R)-4-[tert-butyl(diphenyl)silyl]oxy-2-methylidene-5-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl (4S,5R)-4-[tert-butyl(diphenyl)silyl]oxy-2-methylidene-5-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl (4S,5R)-4-[tert-butyl(diphenyl)silyl]oxy-2-methylidene-5-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-1-carboxylate is C=C1C[C@H](O[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)[C@H](NC(=O)OC(C)(C)C)CN1C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl (4S,5R)-4-[tert-butyl(diphenyl)silyl]oxy-2-methylidene-5-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-1-carboxylate?
The InChIKey is CXJJRERWAAOQIU-SXOMAYOGSA-N. The full InChI is InChI=1S/C32H46N2O5Si/c1-23-21-27(26(33-28(35)37-30(2,3)4)22-34(23)29(36)38-31(5,6)7)39-40(32(8,9)10,24-17-13-11-14-18-24)25-19-15-12-16-20-25/h11-20,26-27H,1,21-22H2,2-10H3,(H,33,35)/t26-,27+/m1/s1.
What are the key properties of tert-butyl (4S,5R)-4-[tert-butyl(diphenyl)silyl]oxy-2-methylidene-5-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-1-carboxylate?
tert-butyl (4S,5R)-4-[tert-butyl(diphenyl)silyl]oxy-2-methylidene-5-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-1-carboxylate has a molecular weight of 566.82 g/mol, XLogP of 5.98, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (4S,5R)-4-[tert-butyl(diphenyl)silyl]oxy-2-methylidene-5-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-1-carboxylate is sourced from PubChem (CID 11527005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).