AG00C3X3

252882-60-3 | 1,2-DIHYDRO-2-OXO-SPIRO[3H-INDOLE-3,4'-PIPERIDINE]-1'-CARBOXYLIC ACID 1,1-DIMETHYLETHYL ESTER

AG00C3X3

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CAS Number	252882-60-3
Catalog Number	AG00C3X3(AGN-PC-039C0N)
Chemical Name	1,2-DIHYDRO-2-OXO-SPIRO[3H-INDOLE-3,4'-PIPERIDINE]-1'-CARBOXYLIC ACID 1,1-DIMETHYLETHYL ESTER
IUPAC Name	tert-butyl 2-oxospiro[1H-indole-3,4'-piperidine]-1'-carboxylate
InChI	InChI=1S/C17H22N2O3/c1-16(2,3)22-15(21)19-10-8-17(9-11-19)12-6-4-5-7-13(12)18-14(17)20/h4-7H,8-11H2,1-3H3,(H,18,20)
InChI Key	YEJCWMVHDBKPBN-UHFFFAOYSA-N
MDL Number	MFCD10566051
Molecular Formula	C17H22N2O3
Molecular Weight	302.3682
SMILES	O=C1C2(c3c(N1)cccc3)CCN(CC2)C(=O)OC(C)(C)C
Synonyms	252882-60-3, 1'-Boc-1,2-dihydro-2-oxo-spiro[3H-indole-3,4'-piperidine], tert-butyl 2-oxospiro[indoline-3,4'-piperidine]-1'-carboxylate, AK-24410, 1,1-Dimethylethyl 1,2-dihydro-2-oxospiro[3H-indole-3,4'-piperidine]-1'-carboxylate, tert-butyl 2-oxo-1,2-dihydrospiro[indole-3,4'-piperidine]-1'-carboxylate, YEJCWMVHDBKPBN-UHFFFAOYSA-N, SCHEMBL1195957, SCHEMBL1195959, CTK4F5384, DTXSID70611809, KS-00000PJ3, ANW-52242, MFCD10566051, ZINC40448404, AKOS015836953, ACN-001320, CB-2807, CS-W020737, OR16702, PB13153, ACM252882603, AM803585, BR-24410, CJ-20132, DS-10568, SC-14346, SY101688, AB0023731, AB1010299, AJ-102699, AX8223375, DB-067366, ST2408389, TR-011560, 4CH-011213, FT-0649106, W4859, MFCD10566051 (95%), S-6963, AS-813/43502108, I14-12316, tert-Butyl 2-oxospiro[indoline-3,4'-piperidine]-1', 1-boc-1,2-dihydro-2-oxo-spiro[3h-indole-3,4-piperidine], 1;-Boc-1,2-dihydro-2-oxo-spiro[3H-indole-3,4;-piperidine], tert-Butyl2-oxospiro[indoline-3,4'-piperidine]-1'-carboxylate, 1'-N-Boc-1,2-dihydro-2-oxo-spiro[3H-indole-3,4'-piperidine], 1'-tert-butoxycarbonyl-spiro[3H-indole-3,4'-piperidin]-2(1H)-one, tert-butyl 2-oxo-1H-spiro[indole-3,4'-piperidine]-1'-carboxylate, tert-butyl 2-oxospiro[1H-indole-3,4'-piperidine]-1'-carboxylate, tert-butyl 2-oxospiro[1H-indole-3,4\'-piperidine]-1\'-carboxylate, tert-butyl-2-oxospiro[indoline-3,4'-piperidine]-1'-carboxylate, tert-butyl 1,2-dihydro-2-oxospiro[indole-3,4'-piperidine]-1'-carboxylate, TERT-BUTYL 2-OXOSPIRO[INDOLINE-3.4-PIPERIDINE]-1-CARBOXYLATE, tert-butyl 2-oxo-1,2-dihydro-1'h-spiro[indole-3,4'-piperidine]-1'-carboxylate, 1 inverted exclamation mark -Boc-spiro[indoline-3,4 inverted exclamation mark -piperidin]-2-one, 1,2-DIHYDRO-2-OXO-SPIRO[3H-INDOLE-3,4'-PIPERIDINE]-1'-CARBOXYLIC ACID 1,1-DIMETHYLETHYL ESTER, Spiro[3H-indole-3,4'-piperidine]-1'-carboxylicacid, 1,2-dihydro-2-oxo-, 1,1-dimethylethyl ester, C17H22N2O3,

Complexity	461
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	302.163g/mol
Formal Charge	0
Heavy Atom Count	22
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	302.374g/mol
Monoisotopic Mass	302.163g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	58.6A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

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