Home Amines 1013753-99-5
1013753-99-5,MFCD30470656
Catalog No.:AA00048Y
1013753-99-5 | 4-Piperidinecarboxamide, N-[(1S)-2-[[(2-methoxyphenyl)methyl]amino]-1-methyl-2-oxoethyl]-1-(phenylsulfonyl)-
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Technical Information
Catalog Number:
AA00048Y
Chemical Name:
4-Piperidinecarboxamide, N-[(1S)-2-[[(2-methoxyphenyl)methyl]amino]-1-methyl-2-oxoethyl]-1-(phenylsulfonyl)-
CAS Number:
1013753-99-5
Molecular Formula:
C23H29N3O5S
Molecular Weight:
459.5585
MDL Number:
MFCD30470656
IUPAC Name:
1-(benzenesulfonyl)-N-[1-[(2-methoxyphenyl)methylamino]-1-oxopropan-2-yl]piperidine-4-carboxamide
InChI:
InChI=1S/C23H29N3O5S/c1-17(22(27)24-16-19-8-6-7-11-21(19)31-2)25-23(28)18-12-14-26(15-13-18)32(29,30)20-9-4-3-5-10-20/h3-11,17-18H,12-16H2,1-2H3,(H,24,27)(H,25,28)
InChI Key:
RCWXKFCEGKXUIN-UHFFFAOYSA-N
SMILES:
COc1ccccc1CNC(=O)[C@@H](NC(=O)C1CCN(CC1)S(=O)(=O)c1ccccc1)C
Properties
Computed Properties
 
Complexity:
724  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
459.183g/mol
Formal Charge:
0
Heavy Atom Count:
32  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
459.561g/mol
Monoisotopic Mass:
459.183g/mol
Rotatable Bond Count:
8  
Topological Polar Surface Area:
113A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1  

Synonyms
 
1013753-99-5 
BC-1382 
(S)-N-(1-((2-Methoxybenzyl)amino)-1-oxopropan-2-yl)-1-(phenylsulfonyl)piperidine-4-carboxamide 
KS-000006AV 
MFCD30470656 
SB19192 
AS-35275 
N-{(1S)-2-[(2-Methoxybenzyl)amino]-1-methyl-2-oxoethyl}-1-(phenylsulfonyl)-4-piperidinecarboxamide 
Literature
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