1-Boc-3-carbamoylpiperidine - CAS 91419-49-7

Catalog:	BB040171
Product Name:	1-Boc-3-carbamoylpiperidine
CAS:	91419-49-7
Synonyms:	3-carbamoyl-1-piperidinecarboxylic acid tert-butyl ester; tert-butyl 3-carbamoylpiperidine-1-carboxylate

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	tert-butyl 3-carbamoylpiperidine-1-carboxylate
Description:	1-Boc-3-carbamoylpiperidine (CAS# 91419-49-7) is a useful research chemical.
Molecular Weight:	228.29
Molecular Formula:	C11H20N2O3
Canonical SMILES:	CC(C)(C)OC(=O)N1CCCC(C1)C(=O)N
InChI:	InChI=1S/C11H20N2O3/c1-11(2,3)16-10(15)13-6-4-5-8(7-13)9(12)14/h8H,4-7H2,1-3H3,(H2,12,14)
InChI Key:	APFUDGDIIFSTSD-UHFFFAOYSA-N
Boiling Point:	384.4 °C at 760 mmHg
Density:	1.123 g/cm³
Appearance:	White or off-white crystalline powder
MDL:	MFCD06658365
LogP:	1.75700

Publication Number	Title	Priority Date
WO-2020025517-A1	Tlr7/8 antagonists and uses thereof	20180731
CN-112513024-A	TLR7/8 antagonists and uses thereof	20180731
EP-3830080-A1	Tlr7/8 antagonists and uses thereof	20180731
US-2021300940-A1	Tlr7/8 antagonists and uses thereof	20180731
WO-2017066705-A1	Compounds, compositions and methods of use against stress granules	20151014

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Related Functional Groups

Carbonyl Compounds

[91125-43-8]
Sulfophenyl nonanoate sodium salt
[1383427-98-2]
(S)-Hexahydropyrazino[2,1-c][1,4]oxazin-4(3H)-one hydrochloride
[1035840-45-9]
1-(5-Methoxy-1,3-benzoxazol-2-yl)piperidine-3-carboxylic acid
[1006443-01-1]
1-(5-Nitropyridin-2-yl)-1H-pyrazole-3-carboxylic acid
[832741-29-4]
1-(4-Bromo-5-propylthiophen-2-yl)ethanone
[1431966-64-1]
1-{2-[(3-Methoxypropyl)amino]-4-methyl-1,3-thiazol-5-yl}ethanone hydrochloride

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:	283
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	228.14739250
Formal Charge:	0
Heavy Atom Count:	16
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	228.14739250
Rotatable Bond Count:	3
Topological Polar Surface Area:	72.6 Å²
Undefined Atom Stereocenter Count:	1
Undefined Bond Stereocenter Count:	0
XLogP3:	0.5