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1315335-15-9 | 1-Piperidinecarboxylic acid, 4-(aminocarbonyl)-4-(2-chloro-3-pyridinyl)-, 1,1-dimethylethyl ester
CAS No: 1315335-15-9 Catalog No: AG000ZCC MDL No:
Product Description
Catalog Number:
AG000ZCC
Chemical Name:
1-Piperidinecarboxylic acid, 4-(aminocarbonyl)-4-(2-chloro-3-pyridinyl)-, 1,1-dimethylethyl ester
CAS Number:
1315335-15-9
Molecular Formula:
C16H22ClN3O3
Molecular Weight:
339.8172
IUPAC Name:
tert-butyl 4-carbamoyl-4-(2-chloropyridin-3-yl)piperidine-1-carboxylate
InChI:
InChI=1S/C16H22ClN3O3/c1-15(2,3)23-14(22)20-9-6-16(7-10-20,13(18)21)11-5-4-8-19-12(11)17/h4-5,8H,6-7,9-10H2,1-3H3,(H2,18,21)
InChI Key:
OAQLRPOHHHVURF-UHFFFAOYSA-N
SMILES:
O=C(N1CCC(CC1)(C(=O)N)c1cccnc1Cl)OC(C)(C)C
Properties
Complexity:
456
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
339.135g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
339.82g/mol
Monoisotopic Mass:
339.135g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
85.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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