1-Boc-4-piperidinecarboxamide - CAS 91419-48-6

Catalog:	BB040170
Product Name:	1-Boc-4-piperidinecarboxamide
CAS:	91419-48-6
Synonyms:	4-carbamoyl-1-piperidinecarboxylic acid tert-butyl ester; tert-butyl 4-carbamoylpiperidine-1-carboxylate

Technical Data

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Computed Properties

IUPAC Name:	tert-butyl 4-carbamoylpiperidine-1-carboxylate
Description:	1-Boc-4-piperidinecarboxamide (CAS# 91419-48-6) is a useful research chemical.
Molecular Weight:	228.29
Molecular Formula:	C11H20N2O3
Canonical SMILES:	CC(C)(C)OC(=O)N1CCC(CC1)C(=O)N
InChI:	InChI=1S/C11H20N2O3/c1-11(2,3)16-10(15)13-6-4-8(5-7-13)9(12)14/h8H,4-7H2,1-3H3,(H2,12,14)
InChI Key:	YHFUWPUJUMZXBD-UHFFFAOYSA-N
Boiling Point:	384.4 °C at 760 mmHg
Density:	1.123 g/cm³
Appearance:	White crystalline powder
MDL:	MFCD02180953
LogP:	1.75700

Publication Number	Title	Priority Date
CN-111662280-A	Piperidinyl tetrahydrobenzothiazole oxime ether derivative and application thereof	20200717
WO-2021115335-A1	Compound as cyclin-dependent kinase 9 inhibitor and use thereof	20191209
WO-2021084264-A1	Isoquinoline derivatives as sik2 inhibitors	20191031
WO-2021084265-A1	Isoquinoline derivatives as sik2 inhibitors	20191031
WO-2021042911-A1	Magl inhibitor, preparation method therefor and use thereof	20190905

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GHS Hazard Statement:	H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
Precautionary Statement:	P264, P280, P302+P352, P305+P351+P338, P321, P332+P313, P337+P313, and P362
Signal Word:	Warning

Complexity:	275
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:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.5