tert-butyl (2R,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-(3-ethoxy-3-oxopropyl)piperidine-1-carboxylate

C21H41NO5Si — CID 53360841

IUPACtert-butyl (2R,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-(3-ethoxy-3-oxopropyl)piperidine-1-carboxylate
SMILESCCOC(=O)CC[C@@H]1[C@@H](O[Si](C)(C)C(C)(C)C)CCCN1C(=O)OC(C)(C)C
InChIInChI=1S/C21H41NO5Si/c1-10-25-18(23)14-13-16-17(27-28(8,9)21(5,6)7)12-11-15-22(16)19(24)26-20(2,3)4/h16-17H,10-15H2,1-9H3/t16-,17+/m1/s1
InChIKeyHHCBBTZQZCPAFC-SJORKVTESA-N
MW415.65 g/mol
LogP5.12
Rot. Bonds6

About tert-butyl (2R,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-(3-ethoxy-3-oxopropyl)piperidine-1-carboxylate

tert-butyl (2R,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-(3-ethoxy-3-oxopropyl)piperidine-1-carboxylate (PubChem CID 53360841) has the molecular formula C21H41NO5Si and a molecular weight of 415.65 g/mol. Its IUPAC name is tert-butyl (2R,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-(3-ethoxy-3-oxopropyl)piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (2R,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-(3-ethoxy-3-oxopropyl)piperidine-1-carboxylate
PubChem CID53360841
Molecular FormulaC21H41NO5Si
Molecular Weight415.65 g/mol
Exact Mass415.28
IUPAC Nametert-butyl (2R,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-(3-ethoxy-3-oxopropyl)piperidine-1-carboxylate
SMILESCCOC(=O)CC[C@@H]1[C@@H](O[Si](C)(C)C(C)(C)C)CCCN1C(=O)OC(C)(C)C
InChIInChI=1S/C21H41NO5Si/c1-10-25-18(23)14-13-16-17(27-28(8,9)21(5,6)7)12-11-15-22(16)19(24)26-20(2,3)4/h16-17H,10-15H2,1-9H3/t16-,17+/m1/s1
InChIKeyHHCBBTZQZCPAFC-SJORKVTESA-N
XLogP5.12
TPSA65.07 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500415.65
LogP ≤ 55.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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 (2R,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-(3-ethoxy-3-oxopropyl)piperidine-1-carboxylate?
The IUPAC name of tert-butyl (2R,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-(3-ethoxy-3-oxopropyl)piperidine-1-carboxylate (CID 53360841) is tert-butyl (2R,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-(3-ethoxy-3-oxopropyl)piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl (2R,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-(3-ethoxy-3-oxopropyl)piperidine-1-carboxylate?
The canonical SMILES for tert-butyl (2R,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-(3-ethoxy-3-oxopropyl)piperidine-1-carboxylate is CCOC(=O)CC[C@@H]1[C@@H](O[Si](C)(C)C(C)(C)C)CCCN1C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl (2R,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-(3-ethoxy-3-oxopropyl)piperidine-1-carboxylate?
The InChIKey is HHCBBTZQZCPAFC-SJORKVTESA-N. The full InChI is InChI=1S/C21H41NO5Si/c1-10-25-18(23)14-13-16-17(27-28(8,9)21(5,6)7)12-11-15-22(16)19(24)26-20(2,3)4/h16-17H,10-15H2,1-9H3/t16-,17+/m1/s1.
What are the key properties of tert-butyl (2R,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-(3-ethoxy-3-oxopropyl)piperidine-1-carboxylate?
tert-butyl (2R,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-(3-ethoxy-3-oxopropyl)piperidine-1-carboxylate has a molecular weight of 415.65 g/mol, XLogP of 5.12, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (2R,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-(3-ethoxy-3-oxopropyl)piperidine-1-carboxylate is sourced from PubChem (CID 53360841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).