1-Cbz-3-Piperidone - CAS 61995-20-8

Catalog:	BB031368
Product Name:	1-Cbz-3-Piperidone
CAS:	61995-20-8
Synonyms:	3-oxo-1-piperidinecarboxylic acid (phenylmethyl) ester; benzyl 3-oxopiperidine-1-carboxylate

Technical Data

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Computed Properties

IUPAC Name:	benzyl 3-oxopiperidine-1-carboxylate
Description:	1-Cbz-3-Piperidone (CAS# 61995-20-8) is a useful research chemical.
Molecular Weight:	233.26
Molecular Formula:	C13H15NO3
Canonical SMILES:	C1CC(=O)CN(C1)C(=O)OCC2=CC=CC=C2
InChI:	InChI=1S/C13H15NO3/c15-12-7-4-8-14(9-12)13(16)17-10-11-5-2-1-3-6-11/h1-3,5-6H,4,7-10H2
InChI Key:	ALXLNFWWLXCXSK-UHFFFAOYSA-N
Boiling Point:	384.1 °C at 760 mmHg
Density:	1.212 g/cm³
Appearance:	Solid
MDL:	MFCD03001723
LogP:	1.92600

Publication Number	Title	Priority Date
WO-2021026803-A1	Piperidinyl-methyl-purineamines as nsd2 inhibitors and anti-cancer agents	20190814
WO-2021028854-A1	Piperidinyl-methyl-purineamines as nsd2 inhibitors and anti-cancer agents	20190814
WO-2020249669-A1	Sulfonamide derivatives and uses thereof	20190612
US-2020199114-A1	Gem-disubstituted pyrrolidines, piperazines, and diazepanes, and compositions and methods of making the same	20181018
TW-201941775-A	GCN2 inhibitor and its use	20180129

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Related Functional Groups

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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

Complexity:	284
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	233.10519334
Formal Charge:	0
Heavy Atom Count:	17
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	233.10519334
Rotatable Bond Count:	3
Topological Polar Surface Area:	46.6 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.5