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1289386-96-4 | 1-Piperidinecarboxylic acid, 4-[methyl[(3-methyl-2-thienyl)carbonyl]amino]-, 1,1-dimethylethyl ester
CAS No: 1289386-96-4 Catalog No: AG000YLQ MDL No:MFCD18837372
Product Description
Catalog Number:
AG000YLQ
Chemical Name:
1-Piperidinecarboxylic acid, 4-[methyl[(3-methyl-2-thienyl)carbonyl]amino]-, 1,1-dimethylethyl ester
CAS Number:
1289386-96-4
Molecular Formula:
C17H26N2O3S
Molecular Weight:
338.4649
MDL Number:
MFCD18837372
IUPAC Name:
tert-butyl 4-[methyl-(3-methylthiophene-2-carbonyl)amino]piperidine-1-carboxylate
InChI:
InChI=1S/C17H26N2O3S/c1-12-8-11-23-14(12)15(20)18(5)13-6-9-19(10-7-13)16(21)22-17(2,3)4/h8,11,13H,6-7,9-10H2,1-5H3
InChI Key:
DJNZEWPUPXIASG-UHFFFAOYSA-N
SMILES:
O=C(N1CCC(CC1)N(C(=O)c1sccc1C)C)OC(C)(C)C
Properties
Complexity:
442
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
338.166g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
338.466g/mol
Monoisotopic Mass:
338.166g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
78.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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