tert-butyl (2S)-4-oxo-2-(1-trimethylsilyltriazol-4-yl)piperidine-1-carboxylate

C15H26N4O3Si — CID 172560264

IUPACtert-butyl (2S)-4-oxo-2-(1-trimethylsilyltriazol-4-yl)piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(=O)C[C@H]1c1cn([Si](C)(C)C)nn1
InChIInChI=1S/C15H26N4O3Si/c1-15(2,3)22-14(21)18-8-7-11(20)9-13(18)12-10-19(17-16-12)23(4,5)6/h10,13H,7-9H2,1-6H3/t13-/m0/s1
InChIKeyXKOCMGVESKFTGC-ZDUSSCGKSA-N
MW338.48 g/mol
LogP2.60
Rot. Bonds2

About tert-butyl (2S)-4-oxo-2-(1-trimethylsilyltriazol-4-yl)piperidine-1-carboxylate

tert-butyl (2S)-4-oxo-2-(1-trimethylsilyltriazol-4-yl)piperidine-1-carboxylate (PubChem CID 172560264) has the molecular formula C15H26N4O3Si and a molecular weight of 338.48 g/mol. Its IUPAC name is tert-butyl (2S)-4-oxo-2-(1-trimethylsilyltriazol-4-yl)piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (2S)-4-oxo-2-(1-trimethylsilyltriazol-4-yl)piperidine-1-carboxylate
PubChem CID172560264
Molecular FormulaC15H26N4O3Si
Molecular Weight338.48 g/mol
Exact Mass338.18
IUPAC Nametert-butyl (2S)-4-oxo-2-(1-trimethylsilyltriazol-4-yl)piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(=O)C[C@H]1c1cn([Si](C)(C)C)nn1
InChIInChI=1S/C15H26N4O3Si/c1-15(2,3)22-14(21)18-8-7-11(20)9-13(18)12-10-19(17-16-12)23(4,5)6/h10,13H,7-9H2,1-6H3/t13-/m0/s1
InChIKeyXKOCMGVESKFTGC-ZDUSSCGKSA-N
XLogP2.60
TPSA77.32 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.48
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze tert-butyl (2S)-4-oxo-2-(1-trimethylsilyltriazol-4-yl)piperidine-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

ditert-butyl (2R)-4-oxopiperidine-1,2-dicarboxylate
CID 118595373
tert-butyl 2-acetyl-4-oxopiperidine-1-carboxylate
CID 77452835
tert-butyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxopiperidine-1-carboxylate
CID 141148809
tert-butyl 2-(2-hydroxyethyl)-4-oxopiperidine-1-carboxylate
CID 167717714
tert-butyl 2-(cyclopropanecarbonyl)-4-oxopiperidine-1-carboxylate
CID 174717068
tert-butyl 4-oxo-2-prop-2-enylpiperidine-1-carboxylate
CID 18340820
1-O-tert-butyl 2-O-ethyl 4-oxopiperidine-1,2-dicarboxylate
CID 15928262
tert-butyl 2-(1,3-thiazol-5-yl)azetidine-1-carboxylate
CID 174554546
tert-butyl 4-hydroxy-2-methylpiperidine-1-carboxylate;tert-butyl 2-methyl-4-oxopiperidine-1-carboxylate
CID 160752889
tert-butyl (2S)-2-(3-methyl-1,2-thiazol-5-yl)pyrrolidine-1-carboxylate
CID 10084409
tert-butyl (2S)-3-oxo-2-propan-2-ylpyrrolidine-1-carboxylate
CID 96602470
tert-butyl 3-oxo-2-propan-2-ylpyrrolidine-1-carboxylate
CID 130003184

Frequently Asked Questions

What is the IUPAC name of tert-butyl (2S)-4-oxo-2-(1-trimethylsilyltriazol-4-yl)piperidine-1-carboxylate?
The IUPAC name of tert-butyl (2S)-4-oxo-2-(1-trimethylsilyltriazol-4-yl)piperidine-1-carboxylate (CID 172560264) is tert-butyl (2S)-4-oxo-2-(1-trimethylsilyltriazol-4-yl)piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl (2S)-4-oxo-2-(1-trimethylsilyltriazol-4-yl)piperidine-1-carboxylate?
The canonical SMILES for tert-butyl (2S)-4-oxo-2-(1-trimethylsilyltriazol-4-yl)piperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCC(=O)C[C@H]1c1cn([Si](C)(C)C)nn1.
What is the InChIKey of tert-butyl (2S)-4-oxo-2-(1-trimethylsilyltriazol-4-yl)piperidine-1-carboxylate?
The InChIKey is XKOCMGVESKFTGC-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H26N4O3Si/c1-15(2,3)22-14(21)18-8-7-11(20)9-13(18)12-10-19(17-16-12)23(4,5)6/h10,13H,7-9H2,1-6H3/t13-/m0/s1.
What are the key properties of tert-butyl (2S)-4-oxo-2-(1-trimethylsilyltriazol-4-yl)piperidine-1-carboxylate?
tert-butyl (2S)-4-oxo-2-(1-trimethylsilyltriazol-4-yl)piperidine-1-carboxylate has a molecular weight of 338.48 g/mol, XLogP of 2.60, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (2S)-4-oxo-2-(1-trimethylsilyltriazol-4-yl)piperidine-1-carboxylate is sourced from PubChem (CID 172560264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).