Home Carboxys tert-butyl 4-[3-nitro-6-oxopiperidin-2-yl]piperidine-1-carboxylate, trans

tert-butyl 4-[3-nitro-6-oxopiperidin-2-yl]piperidine-1-carboxylate, trans

CAS No.:
1820571-62-7
Catalog Number:
AG01AM49
Molecular Formula:
C15H25N3O5
Molecular Weight:
327.3761
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Product Description
Catalog Number:
AG01AM49
Chemical Name:
tert-butyl 4-[3-nitro-6-oxopiperidin-2-yl]piperidine-1-carboxylate, trans
CAS Number:
1820571-62-7
Molecular Formula:
C15H25N3O5
Molecular Weight:
327.3761
MDL Number:
MFCD28968355
IUPAC Name:
tert-butyl 4-[(2S,3R)-3-nitro-6-oxopiperidin-2-yl]piperidine-1-carboxylate
InChI:
InChI=1S/C15H25N3O5/c1-15(2,3)23-14(20)17-8-6-10(7-9-17)13-11(18(21)22)4-5-12(19)16-13/h10-11,13H,4-9H2,1-3H3,(H,16,19)/t11-,13+/m1/s1
InChI Key:
KIMYPMQKIANAFM-YPMHNXCESA-N
SMILES:
O=C1CC[C@H]([C@@H](N1)C1CCN(CC1)C(=O)OC(C)(C)C)[N+](=O)[O-]
Properties
Complexity:
475  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
2  
Defined Bond Stereocenter Count:
0
Exact Mass:
327.179g/mol
Formal Charge:
0
Heavy Atom Count:
23  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
327.381g/mol
Monoisotopic Mass:
327.179g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
105A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1  
Properties