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Home > Imidazoles > 2044706-27-4
2044706-27-4 | rac-(2R,3R)-1-cyclopropyl-2-(1-methyl-1H-imidazol-2-yl)-6-oxopiperidine-3-carboxamide, trans
CAS No: 2044706-27-4 Catalog No: AG01BV1J MDL No:MFCD30487208
Product Description
Catalog Number:
AG01BV1J
Chemical Name:
rac-(2R,3R)-1-cyclopropyl-2-(1-methyl-1H-imidazol-2-yl)-6-oxopiperidine-3-carboxamide, trans
CAS Number:
2044706-27-4
Molecular Formula:
C13H18N4O2
Molecular Weight:
262.3076
MDL Number:
MFCD30487208
IUPAC Name:
(2S,3S)-1-cyclopropyl-2-(1-methylimidazol-2-yl)-6-oxopiperidine-3-carboxamide
InChI:
InChI=1S/C13H18N4O2/c1-16-7-6-15-13(16)11-9(12(14)19)4-5-10(18)17(11)8-2-3-8/h6-9,11H,2-5H2,1H3,(H2,14,19)/t9-,11-/m0/s1
InChI Key:
RZUQEHYDNIYURQ-ONGXEEELSA-N
SMILES:
NC(=O)[C@H]1CCC(=O)N([C@@H]1c1nccn1C)C1CC1
Properties
Complexity:
396
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
262.143g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
262.313g/mol
Monoisotopic Mass:
262.143g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
81.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.1
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