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1808315-15-2

1808315-15-2 | 2-(1-methyl-1H-imidazol-5-yl)-6-oxo-1-propylpiperidine-3-carboxamide, trans

CAS No: 1808315-15-2 Catalog No: AG01BG6C MDL No:MFCD28656786

Product Description

Catalog Number:
AG01BG6C
Chemical Name:
2-(1-methyl-1H-imidazol-5-yl)-6-oxo-1-propylpiperidine-3-carboxamide, trans
CAS Number:
1808315-15-2
Molecular Formula:
C13H20N4O2
Molecular Weight:
264.3235
MDL Number:
MFCD28656786
IUPAC Name:
(2R,3R)-2-(3-methylimidazol-4-yl)-6-oxo-1-propylpiperidine-3-carboxamide
InChI:
InChI=1S/C13H20N4O2/c1-3-6-17-11(18)5-4-9(13(14)19)12(17)10-7-15-8-16(10)2/h7-9,12H,3-6H2,1-2H3,(H2,14,19)/t9-,12-/m1/s1
InChI Key:
ZDVJJDJCVKXLQL-BXKDBHETSA-N
SMILES:
CCCN1C(=O)CC[C@H]([C@@H]1c1cncn1C)C(=O)N

Properties

Complexity:
361  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
2  
Defined Bond Stereocenter Count:
0
Exact Mass:
264.159g/mol
Formal Charge:
0
Heavy Atom Count:
19  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
264.329g/mol
Monoisotopic Mass:
264.159g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
81.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.8  

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