6,6-Dimethylpiperidine-2,4-dione - CAS 5239-39-4

Catalog:	BB027809
Product Name:	6,6-Dimethylpiperidine-2,4-dione
CAS:	5239-39-4
Synonyms:	6,6-dimethylpiperidine-2,4-dione; 6,6-dimethylpiperidine-2,4-dione

Technical Data

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Computed Properties

IUPAC Name:	6,6-dimethylpiperidine-2,4-dione
Description:	6,6-Dimethylpiperidine-2,4-dione (CAS# 5239-39-4) is a useful research chemical.
Molecular Weight:	141.17
Molecular Formula:	C7H11NO2
Canonical SMILES:	CC1(CC(=O)CC(=O)N1)C
InChI:	InChI=1S/C7H11NO2/c1-7(2)4-5(9)3-6(10)8-7/h3-4H2,1-2H3,(H,8,10)
InChI Key:	APZLJMYONPJZSK-UHFFFAOYSA-N
LogP:	0.52000

Publication Number	Title	Priority Date
WO-2020161257-A1	3-amino-2-[2-(acylamino)pyridin-4-yl]-1,5,6,7-tetrahydro-4h-pyrrolo[3,2-c]pyridin-4-one as csnk1 inhibitors	20190207
WO-2018026371-A1	Dual nav1.2/5ht2a inhibitors for treating cns disorders	20160804
TW-201702248-A	Six-membered heterocyclic derivative	20150615
WO-2016204134-A1	Six-membered-heterocycle derivative	20150615
AU-2016212230-A1	4H-pyrrolo[3,2-c]pyridin-4-one derivatives	20150128

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Related Functional Groups

Carbonyl Compounds

[87-88-7]
Chloranilic acid
[1383427-98-2]
(S)-Hexahydropyrazino[2,1-c][1,4]oxazin-4(3H)-one hydrochloride
[17746-05-3]
Undecanoyl chloride
[959574-98-2]
(3-Phenyl-1H-pyrazol-1-yl)acetic acid
[70199-62-1]
(4-Pyridyl)acetone Hydrochloride
[1035840-45-9]
1-(5-Methoxy-1,3-benzoxazol-2-yl)piperidine-3-carboxylic acid

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GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	184
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	141.078978594
Formal Charge:	0
Heavy Atom Count:	10
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	141.078978594
Rotatable Bond Count:	0
Topological Polar Surface Area:	46.2 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	-0.2