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1233951-99-9 | tert-Butyl 4-(nicotinamido)piperidine-1-carboxylate
CAS No: 1233951-99-9 Catalog No: AG01F8PE MDL No:
Product Description
Catalog Number:
AG01F8PE
Chemical Name:
tert-Butyl 4-(nicotinamido)piperidine-1-carboxylate
CAS Number:
1233951-99-9
Molecular Formula:
C16H23N3O3
Molecular Weight:
305.3721
IUPAC Name:
tert-butyl 4-(pyridine-3-carbonylamino)piperidine-1-carboxylate
InChI:
InChI=1S/C16H23N3O3/c1-16(2,3)22-15(21)19-9-6-13(7-10-19)18-14(20)12-5-4-8-17-11-12/h4-5,8,11,13H,6-7,9-10H2,1-3H3,(H,18,20)
InChI Key:
JBPRJCVCSUWBQQ-UHFFFAOYSA-N
SMILES:
O=C(N1CCC(CC1)NC(=O)c1cccnc1)OC(C)(C)C
Properties
Complexity:
398
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
305.174g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
305.378g/mol
Monoisotopic Mass:
305.174g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
71.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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