3-(Boc-amino)-2-piperidone - CAS 99780-98-0

Catalog:	BB042339
Product Name:	3-(Boc-amino)-2-piperidone
CAS:	99780-98-0
Synonyms:	N-(2-oxo-3-piperidinyl)carbamic acid tert-butyl ester; tert-butyl N-(2-oxopiperidin-3-yl)carbamate

Technical Data

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Computed Properties

IUPAC Name:	tert-butyl N-(2-oxopiperidin-3-yl)carbamate
Description:	3-(Boc-amino)-2-piperidone (CAS# 99780-98-0) is a useful research chemical.
Molecular Weight:	214.26
Molecular Formula:	C10H18N2O3
Canonical SMILES:	CC(C)(C)OC(=O)NC1CCCNC1=O
InChI:	InChI=1S/C10H18N2O3/c1-10(2,3)15-9(14)12-7-5-4-6-11-8(7)13/h7H,4-6H2,1-3H3,(H,11,13)(H,12,14)
InChI Key:	SSBSATYPIISWFD-UHFFFAOYSA-N
Appearance:	Solid
LogP:	1.27000

Publication Number	Title	Priority Date
US-2021015829-A1	Cyclic trex1 inhibitors	20190408
CN-110996950-A	Piperidinone formyl peptide 2 receptor agonists and formyl peptide 1 receptor agonists	20170609
CN-110997652-A	Piperidinone formyl peptide 2 receptor agonists	20170609
CN-110997653-A	Aryl heterocyclic piperidone formyl peptide 2 receptor and formyl peptide 1 receptor agonists	20170609
EP-3634412-A1	Piperidinone formyl peptide 2 receptor and formyl peptide 1 receptor agonists	20170609

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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:	258
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	214.13174244
Formal Charge:	0
Heavy Atom Count:	15
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	214.13174244
Rotatable Bond Count:	3
Topological Polar Surface Area:	67.4 Å²
Undefined Atom Stereocenter Count:	1
Undefined Bond Stereocenter Count:	0
XLogP3:	0.8