tert-butyl 4-oxo-3-trimethylsilylpiperidine-1-carboxylate

C13H25NO3Si — CID 146158103

IUPACtert-butyl 4-oxo-3-trimethylsilylpiperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(=O)C([Si](C)(C)C)C1
InChIInChI=1S/C13H25NO3Si/c1-13(2,3)17-12(16)14-8-7-10(15)11(9-14)18(4,5)6/h11H,7-9H2,1-6H3
InChIKeyWKNQWACTPLQFLA-UHFFFAOYSA-N
MW271.43 g/mol
LogP2.90
Rot. Bonds1

About tert-butyl 4-oxo-3-trimethylsilylpiperidine-1-carboxylate

tert-butyl 4-oxo-3-trimethylsilylpiperidine-1-carboxylate (PubChem CID 146158103) has the molecular formula C13H25NO3Si and a molecular weight of 271.43 g/mol. Its IUPAC name is tert-butyl 4-oxo-3-trimethylsilylpiperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-oxo-3-trimethylsilylpiperidine-1-carboxylate
PubChem CID146158103
Molecular FormulaC13H25NO3Si
Molecular Weight271.43 g/mol
Exact Mass271.16
IUPAC Nametert-butyl 4-oxo-3-trimethylsilylpiperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(=O)C([Si](C)(C)C)C1
InChIInChI=1S/C13H25NO3Si/c1-13(2,3)17-12(16)14-8-7-10(15)11(9-14)18(4,5)6/h11H,7-9H2,1-6H3
InChIKeyWKNQWACTPLQFLA-UHFFFAOYSA-N
XLogP2.90
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.43
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze tert-butyl 4-oxo-3-trimethylsilylpiperidine-1-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

tert-butyl (3R)-3-methoxy-4-oxopiperidine-1-carboxylate
CID 86318470
tert-butyl (8aR)-8-oxo-1,3,4,6,7,8a-hexahydropyrrolo[1,2-a]pyrazine-2-carboxylate
CID 129371606
tert-butyl 4-oxo-3-pentan-3-ylpiperidine-1-carboxylate
CID 114451383
tert-butyl 3-(2-hydroxy-2-methylpropyl)-4-oxopiperidine-1-carboxylate
CID 114451413
tert-butyl 4-oxo-3-propylpiperidine-1-carboxylate
CID 57376569
tert-butyl (3R)-3-[(1R)-1-hydroxy-2-methylpropyl]-4-oxopiperidine-1-carboxylate
CID 11975533
tert-butyl (3S)-3-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-4-oxopiperidine-1-carboxylate
CID 67334474
tert-butyl 3-[(E)-but-2-enyl]-4-oxopiperidine-1-carboxylate
CID 114451401
tert-butyl (4S)-4-fluoro-5-oxoazepane-1-carboxylate
CID 124523417
tert-butyl 4-oxo-3-propan-2-yloxypiperidine-1-carboxylate
CID 67548859
tert-butyl (3R)-3-cyclopentyl-4-oxopiperidine-1-carboxylate
CID 124601624
tert-butyl 3-(3-methylbutyl)-4-oxopiperidine-1-carboxylate
CID 114451438

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-oxo-3-trimethylsilylpiperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-oxo-3-trimethylsilylpiperidine-1-carboxylate (CID 146158103) is tert-butyl 4-oxo-3-trimethylsilylpiperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-oxo-3-trimethylsilylpiperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-oxo-3-trimethylsilylpiperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCC(=O)C([Si](C)(C)C)C1.
What is the InChIKey of tert-butyl 4-oxo-3-trimethylsilylpiperidine-1-carboxylate?
The InChIKey is WKNQWACTPLQFLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO3Si/c1-13(2,3)17-12(16)14-8-7-10(15)11(9-14)18(4,5)6/h11H,7-9H2,1-6H3.
What are the key properties of tert-butyl 4-oxo-3-trimethylsilylpiperidine-1-carboxylate?
tert-butyl 4-oxo-3-trimethylsilylpiperidine-1-carboxylate has a molecular weight of 271.43 g/mol, XLogP of 2.90, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-oxo-3-trimethylsilylpiperidine-1-carboxylate is sourced from PubChem (CID 146158103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).