Home Carboxys tert-butyl 4-{2-oxo-octahydro-1H-imidazolidino[4,5-c]pyridin-1-yl}piperidine-1-carboxylate

tert-butyl 4-{2-oxo-octahydro-1H-imidazolidino[4,5-c]pyridin-1-yl}piperidine-1-carboxylate

CAS No.:
1909310-15-1
Catalog Number:
AG01C2SC
Molecular Formula:
C16H28N4O3
Molecular Weight:
324.4185
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Product Description
Catalog Number:
AG01C2SC
Chemical Name:
tert-butyl 4-{2-oxo-octahydro-1H-imidazolidino[4,5-c]pyridin-1-yl}piperidine-1-carboxylate
CAS Number:
1909310-15-1
Molecular Formula:
C16H28N4O3
Molecular Weight:
324.4185
MDL Number:
MFCD29060311
IUPAC Name:
tert-butyl 4-(2-oxo-3a,4,5,6,7,7a-hexahydro-3H-imidazo[4,5-c]pyridin-1-yl)piperidine-1-carboxylate
InChI:
InChI=1S/C16H28N4O3/c1-16(2,3)23-15(22)19-8-5-11(6-9-19)20-13-4-7-17-10-12(13)18-14(20)21/h11-13,17H,4-10H2,1-3H3,(H,18,21)
InChI Key:
CLSSHGGBDWCHLA-UHFFFAOYSA-N
SMILES:
O=C1NC2C(N1C1CCN(CC1)C(=O)OC(C)(C)C)CCNC2
Properties
Complexity:
468  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
324.216g/mol
Formal Charge:
0
Heavy Atom Count:
23  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
324.425g/mol
Monoisotopic Mass:
324.216g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
73.9A^2
Undefined Atom Stereocenter Count:
2  
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6  
Properties