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1277958-70-9 | 1-Piperidinecarboxylic acid, 3-[[cyclopropyl[(3-fluorophenyl)methyl]amino]carbonyl]-, 1,1-dimethylethyl ester
CAS No: 1277958-70-9 Catalog No: AG000XEP MDL No:MFCD22631634
Product Description
Catalog Number:
AG000XEP
Chemical Name:
1-Piperidinecarboxylic acid, 3-[[cyclopropyl[(3-fluorophenyl)methyl]amino]carbonyl]-, 1,1-dimethylethyl ester
CAS Number:
1277958-70-9
Molecular Formula:
C21H29FN2O3
Molecular Weight:
376.4650
MDL Number:
MFCD22631634
IUPAC Name:
tert-butyl 3-[cyclopropyl-[(3-fluorophenyl)methyl]carbamoyl]piperidine-1-carboxylate
InChI:
InChI=1S/C21H29FN2O3/c1-21(2,3)27-20(26)23-11-5-7-16(14-23)19(25)24(18-9-10-18)13-15-6-4-8-17(22)12-15/h4,6,8,12,16,18H,5,7,9-11,13-14H2,1-3H3
InChI Key:
SDWTXIKFRQZTBG-UHFFFAOYSA-N
SMILES:
Fc1cccc(c1)CN(C(=O)C1CCCN(C1)C(=O)OC(C)(C)C)C1CC1
Properties
Complexity:
544
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
376.216g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
376.472g/mol
Monoisotopic Mass:
376.216g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
49.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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