Spiro[indoline-3,4'-piperidin]-2-one - CAS 252882-61-4

Name: Spiro[indoline-3,4'-piperidin]-2-one
Brand: BOC Sciences
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Catalog:	BB018842
Product Name:	Spiro[indoline-3,4'-piperidin]-2-one
CAS:	252882-61-4
Synonyms:	2-spiro[1H-indole-3,4'-piperidine]one; spiro[1H-indole-3,4'-piperidine]-2-one

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	spiro[1H-indole-3,4'-piperidine]-2-one
Description:	Spiro[indoline-3,4'-piperidin]-2-one (CAS# 252882-61-4) is a useful research chemical.
Molecular Weight:	202.25
Molecular Formula:	C12H14N2O
Canonical SMILES:	C1CNCCC12C3=CC=CC=C3NC2=O
InChI:	InChI=1S/C12H14N2O/c15-11-12(5-7-13-8-6-12)9-3-1-2-4-10(9)14-11/h1-4,13H,5-8H2,(H,14,15)
InChI Key:	SXOVJOBXZPCKRA-UHFFFAOYSA-N
Boiling Point:	413.2 °C at 760 mmHg
Density:	1.23 g/cm³
MDL:	MFCD12198581
LogP:	1.72670

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Related Functional Groups

Carbonyl Compounds

[91125-43-8]C15H22O5S.Na
Sulfophenyl nonanoate sodium salt
[5650-34-0]C9H8O2
Oxiran-2-yl(phenyl)methanone
[87-88-7]C6H2Cl2O4
Chloranilic acid
[70199-62-1]C8H10ClNO
(4-Pyridyl)acetone Hydrochloride
[1035840-45-9]C14H16N2O4
1-(5-Methoxy-1,3-benzoxazol-2-yl)piperidine-3-carboxylic acid
[1006443-01-1]C9H6N4O4
1-(5-Nitropyridin-2-yl)-1H-pyrazole-3-carboxylic acid

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

Publication Number	Title	Priority Date
WO-2020216378-A1	Heterocyclic compound, application thereof, and composition containing same	20190426
WO-2020039029-A1	Spiro compounds as glycosidase inhibitors	20180822
US-10787447-B2	Pharmaceutical compounds	20180622
US-10858352-B2	Pharmaceutical compounds	20180622
US-2021002271-A1	Pharmaceutical compounds	20180622

Complexity:	271
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	202.110613074
Formal Charge:	0
Heavy Atom Count:	15
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	202.110613074
Rotatable Bond Count:	0
Topological Polar Surface Area:	41.1 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.7