3-Piperidinecarboxamide
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3-Piperidinecarboxamide
structure -
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CAS No:
4138-26-5
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Formula:
C6H12N2O
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Chemical Name:
3-Piperidinecarboxamide
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Synonyms:
3-Piperidinecarboxamide;Nipecotamide;Nipecotic acid amide;3-Carbamoylpiperidine;3-(Aminocarbonyl)piperidine;TK 523;NSC 523303;Piperidine-3-carboxylic acid amide;71381-76-5
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CAS No:
Description
YELLOW CRYSTALLINE POWDER
Nipecotamide is the amide resulting from the formal condensation of nipecotic acid with ammonia.
Characteristics
55.1
-1.3
1.1±0.1 g/cm3
111-112 °C
149-160 °C @ Press: 0.3-0.5 Torr
142.3±24.8 °C
1.483
>19.2 [ug/mL]
Safety Information
NONH for all modes of transport
3
R36/37/38
S26-S37/39
Xi:Irritant;
P261-P305 + P351 + P338
H315-H319-H335
|Warning|H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]|P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501|Aggregated GHS information provided by 40 companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
3-Piperidinecarboxamide Use and Manufacturing
122.12 g (1.00 mol) of nicotinamide was dissolved in 500 mL of 2-propanol. To the resulting solution was charged 14.4 g of palladium-carbon (10percent), and the solution was stirred for 4 hours at 75° C. under hydrogen pressure of 0.5 MPa. After the reaction was completed, the palladium-carbon was filtered and separated. The filtered palladium-carbon was washed with 100 mL of 2-propanol. The filtrate and the washing liquid were combined and condensed, and 126.08 g of white crystals of nipecotamide in a racemic form was obtained. The yield was 98.4percent. The resultant was confirmed to be the target object by NMR.Referring to Scheme 2, compound 9 is obtained by reacting compound 2 with To a solution of amine 15.1 (10.7 g, 83.6 mmol) in CHC13 (150 mL) was added (Boc)20 (19 g, 87 mmol). The mixture was stirred at RT overnight. The reaction mixture was concentrated in vacuo to give a white solid, which was recrystallized with hexane to afford compound 15.2 (17g, 95percent yield).To a stirred solution of
Reactant for synthesis of:• ;DPP-4 inhibitors1• ;IKKβ inhibitors2• ;Spiroimidazolidinone NPC1L1 inhibitors3• ;Sulfamides4• ;Phosphodiesterase 5 inhibtors5• ;Anti-HIV agents6
Computed Properties
Molecular Weight:128.17
XLogP3:-1.3
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:1
Exact Mass:128.094963011
Monoisotopic Mass:128.094963011
Topological Polar Surface Area:55.1
Heavy Atom Count:9
Complexity:114
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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