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Boc-piperidine-oxopiperidin

CAT: 0013-GTR19264650-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19264650-01Size:10 mg
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Description
Boc-piperidine-oxopiperidin is a PROTAC linker. It is utilized in the synthesis of PROTAC [LYA914].
CAS Number
3078378-93-2
Field of Research
Pharmacology & Drug Discovery
Smiles
O=C (OC (C) (C) C) N1CCC (CN2CCC (=O) CC2) CC1
Molecular Formula
C16H28N2O3
Molecular Weight
296.41
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

tert-Butyl 4-[(4-oxo-1-piperidyl)methyl]piperidine-1-carboxylate
CAS Number3078378-93-2
PubChem CID168477796
IUPAC Nametert-butyl 4-[(4-oxopiperidin-1-yl)methyl]piperidine-1-carboxylate
Molecular FormulaC16H28N2O3
Molecular Weight296.40
XLogP1.3
Topological Polar Surface Area49.9
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count4
Heavy Atom Count21
Formal Charge0
Complexity371
SMILES
CC(C)(C)OC(=O)N1CCC(CC1)CN2CCC(=O)CC2
InChI
InChI=1S/C16H28N2O3/c1-16(2,3)21-15(20)18-10-4-13(5-11-18)12-17-8-6-14(19)7-9-17/h13H,4-12H2,1-3H3
InChIKey
QKQUJXZSMHJNTL-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of tert-Butyl 4-[(4-oxo-1-piperidyl)methyl]piperidine-1-carboxylate
CAS: 3078378-93-2
CID: 168477796
Formula: C16H28N2O3
MW: 296.40
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight296.40
XLogP31.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count4
Exact Mass296.20999276
Monoisotopic Mass296.20999276
Topological Polar Surface Area49.9 Ų
Heavy Atom Count21
Formal Charge0
Complexity371
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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