1-Boc-3-ethyl-4-piperidinone - CAS 117565-57-8
Catalog: |
BB003956 |
Product Name: |
1-Boc-3-ethyl-4-piperidinone |
CAS: |
117565-57-8 |
Synonyms: |
3-ethyl-4-oxo-1-piperidinecarboxylic acid tert-butyl ester; tert-butyl 3-ethyl-4-oxopiperidine-1-carboxylate |
IUPAC Name: | tert-butyl 3-ethyl-4-oxopiperidine-1-carboxylate |
Description: | 1-Boc-3-ethyl-4-piperidinone (CAS# 117565-57-8) is used as a reactant in the preparation of 3-(piperidinosulfonyl)benzamides useful in mono- and combination treatment of HBV infection. |
Molecular Weight: | 227.30 |
Molecular Formula: | C12H21NO3 |
Canonical SMILES: | CCC1CN(CCC1=O)C(=O)OC(C)(C)C |
InChI: | InChI=1S/C12H21NO3/c1-5-9-8-13(7-6-10(9)14)11(15)16-12(2,3)4/h9H,5-8H2,1-4H3 |
InChI Key: | HGJKZGGZDSJORL-UHFFFAOYSA-N |
Storage: | Inert atmosphere, Room Temperature |
LogP: | 2.16040 |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
US-2021188845-A1 | Substituted bicyclic compounds useful as t cell activators | 20191223 |
WO-2021133750-A1 | Substituted bicyclic piperidine derivatives useful as t cell activators | 20191223 |
WO-2021133809-A1 | Inhibitors of mutant forms of egfr | 20191223 |
TW-202000659-A | Piperidinyl-3-(aryloxy)propanamides and propanoates | 20180301 |
US-2020061041-A1 | Piperidinyl-3-(aryloxy)propanamides and propanoates | 20180301 |
Complexity: | 281 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 227.15214353 |
Formal Charge: | 0 |
Heavy Atom Count: | 16 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 227.15214353 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 46.6 Å2 |
Undefined Atom Stereocenter Count: | 1 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.5 |
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Piperidines
Piperidones
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