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31642-95-2 | 3-AMINO-4-PIPERIDIN-1-YL-BENZAMIDE
CAS No: 31642-95-2 Catalog No: AG00CKY7 MDL No:MFCD03274505
Product Description
Catalog Number:
AG00CKY7
Chemical Name:
3-AMINO-4-PIPERIDIN-1-YL-BENZAMIDE
CAS Number:
31642-95-2
Molecular Formula:
C12H17N3O
Molecular Weight:
219.2829
MDL Number:
MFCD03274505
IUPAC Name:
3-amino-4-piperidin-1-ylbenzamide
InChI:
InChI=1S/C12H17N3O/c13-10-8-9(12(14)16)4-5-11(10)15-6-2-1-3-7-15/h4-5,8H,1-3,6-7,13H2,(H2,14,16)
InChI Key:
PMPIUPQQXZIRFH-UHFFFAOYSA-N
SMILES:
Nc1cc(ccc1N1CCCCC1)C(=O)N
Properties
Complexity:
251
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
219.137g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
219.288g/mol
Monoisotopic Mass:
219.137g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
72.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
Literature
| Title | Journal |
|---|---|
| Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. | Bioorganic & medicinal chemistry letters 20101101 |
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