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1417793-49-7 | 1-Piperidinecarboxylic acid, 4-[[cyclopropyl(4-pyridinylmethyl)amino]carbonyl]-, 1,1-dimethylethyl ester
CAS No: 1417793-49-7 Catalog No: AG001H44 MDL No:MFCD22631679
Product Description
Catalog Number:
AG001H44
Chemical Name:
1-Piperidinecarboxylic acid, 4-[[cyclopropyl(4-pyridinylmethyl)amino]carbonyl]-, 1,1-dimethylethyl ester
CAS Number:
1417793-49-7
Molecular Formula:
C20H29N3O3
Molecular Weight:
359.4626
MDL Number:
MFCD22631679
IUPAC Name:
tert-butyl 4-[cyclopropyl(pyridin-4-ylmethyl)carbamoyl]piperidine-1-carboxylate
InChI:
InChI=1S/C20H29N3O3/c1-20(2,3)26-19(25)22-12-8-16(9-13-22)18(24)23(17-4-5-17)14-15-6-10-21-11-7-15/h6-7,10-11,16-17H,4-5,8-9,12-14H2,1-3H3
InChI Key:
FXJNONSBSVIZAL-UHFFFAOYSA-N
SMILES:
O=C(N(C1CC1)Cc1ccncc1)C1CCN(CC1)C(=O)OC(C)(C)C
Properties
Complexity:
499
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
359.221g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
359.47g/mol
Monoisotopic Mass:
359.221g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
62.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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