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1955530-21-8

1955530-21-8 | 2-(1-methyl-1H-imidazol-5-yl)-6-oxo-1-propylpiperidine-3-carboxamide

CAS No: 1955530-21-8 Catalog No: AG01BEK8 MDL No:MFCD30180264

Product Description

Catalog Number:
AG01BEK8
Chemical Name:
2-(1-methyl-1H-imidazol-5-yl)-6-oxo-1-propylpiperidine-3-carboxamide
CAS Number:
1955530-21-8
Molecular Formula:
C13H20N4O2
Molecular Weight:
264.3235
MDL Number:
MFCD30180264
IUPAC Name:
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)
InChI Key:
ZDVJJDJCVKXLQL-UHFFFAOYSA-N
SMILES:
CCCN1C(=O)CCC(C1c1cncn1C)C(=O)N

Properties

Complexity:
361  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
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:
2  
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.8  

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