tert-butyl N-[(3R,4S)-4-[tert-butyl(diphenyl)silyl]oxy-6-oxopiperidin-3-yl]carbamate

C26H36N2O4Si — CID 11540020

IUPACtert-butyl N-[(3R,4S)-4-[tert-butyl(diphenyl)silyl]oxy-6-oxopiperidin-3-yl]carbamate
SMILESCC(C)(C)OC(=O)N[C@@H]1CNC(=O)C[C@@H]1O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C26H36N2O4Si/c1-25(2,3)31-24(30)28-21-18-27-23(29)17-22(21)32-33(26(4,5)6,19-13-9-7-10-14-19)20-15-11-8-12-16-20/h7-16,21-22H,17-18H2,1-6H3,(H,27,29)(H,28,30)/t21-,22+/m1/s1
InChIKeyGFCOAVCGEVPBDU-YADHBBJMSA-N
MW468.67 g/mol
LogP3.34
Rot. Bonds5

About tert-butyl N-[(3R,4S)-4-[tert-butyl(diphenyl)silyl]oxy-6-oxopiperidin-3-yl]carbamate

tert-butyl N-[(3R,4S)-4-[tert-butyl(diphenyl)silyl]oxy-6-oxopiperidin-3-yl]carbamate (PubChem CID 11540020) has the molecular formula C26H36N2O4Si and a molecular weight of 468.67 g/mol. Its IUPAC name is tert-butyl N-[(3R,4S)-4-[tert-butyl(diphenyl)silyl]oxy-6-oxopiperidin-3-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(3R,4S)-4-[tert-butyl(diphenyl)silyl]oxy-6-oxopiperidin-3-yl]carbamate
PubChem CID11540020
Molecular FormulaC26H36N2O4Si
Molecular Weight468.67 g/mol
Exact Mass468.24
IUPAC Nametert-butyl N-[(3R,4S)-4-[tert-butyl(diphenyl)silyl]oxy-6-oxopiperidin-3-yl]carbamate
SMILESCC(C)(C)OC(=O)N[C@@H]1CNC(=O)C[C@@H]1O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C26H36N2O4Si/c1-25(2,3)31-24(30)28-21-18-27-23(29)17-22(21)32-33(26(4,5)6,19-13-9-7-10-14-19)20-15-11-8-12-16-20/h7-16,21-22H,17-18H2,1-6H3,(H,27,29)(H,28,30)/t21-,22+/m1/s1
InChIKeyGFCOAVCGEVPBDU-YADHBBJMSA-N
XLogP3.34
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.67
LogP ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(3R,4S)-4-[tert-butyl(diphenyl)silyl]oxy-6-oxopiperidin-3-yl]carbamate?
The IUPAC name of tert-butyl N-[(3R,4S)-4-[tert-butyl(diphenyl)silyl]oxy-6-oxopiperidin-3-yl]carbamate (CID 11540020) is tert-butyl N-[(3R,4S)-4-[tert-butyl(diphenyl)silyl]oxy-6-oxopiperidin-3-yl]carbamate.
What is the SMILES notation for tert-butyl N-[(3R,4S)-4-[tert-butyl(diphenyl)silyl]oxy-6-oxopiperidin-3-yl]carbamate?
The canonical SMILES for tert-butyl N-[(3R,4S)-4-[tert-butyl(diphenyl)silyl]oxy-6-oxopiperidin-3-yl]carbamate is CC(C)(C)OC(=O)N[C@@H]1CNC(=O)C[C@@H]1O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C.
What is the InChIKey of tert-butyl N-[(3R,4S)-4-[tert-butyl(diphenyl)silyl]oxy-6-oxopiperidin-3-yl]carbamate?
The InChIKey is GFCOAVCGEVPBDU-YADHBBJMSA-N. The full InChI is InChI=1S/C26H36N2O4Si/c1-25(2,3)31-24(30)28-21-18-27-23(29)17-22(21)32-33(26(4,5)6,19-13-9-7-10-14-19)20-15-11-8-12-16-20/h7-16,21-22H,17-18H2,1-6H3,(H,27,29)(H,28,30)/t21-,22+/m1/s1.
What are the key properties of tert-butyl N-[(3R,4S)-4-[tert-butyl(diphenyl)silyl]oxy-6-oxopiperidin-3-yl]carbamate?
tert-butyl N-[(3R,4S)-4-[tert-butyl(diphenyl)silyl]oxy-6-oxopiperidin-3-yl]carbamate has a molecular weight of 468.67 g/mol, XLogP of 3.34, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(3R,4S)-4-[tert-butyl(diphenyl)silyl]oxy-6-oxopiperidin-3-yl]carbamate is sourced from PubChem (CID 11540020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).