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2645-36-5 | 1-Piperidinecarboxamide, N-phenyl-
CAS No: 2645-36-5 Catalog No: AG002TAG MDL No:MFCD00023669
Product Description
Catalog Number:
AG002TAG
Chemical Name:
1-Piperidinecarboxamide, N-phenyl-
CAS Number:
2645-36-5
Molecular Formula:
C12H16N2O
Molecular Weight:
204.2682
MDL Number:
MFCD00023669
IUPAC Name:
N-phenylpiperidine-1-carboxamide
InChI:
InChI=1S/C12H16N2O/c15-12(14-9-5-2-6-10-14)13-11-7-3-1-4-8-11/h1,3-4,7-8H,2,5-6,9-10H2,(H,13,15)
InChI Key:
UICIJOHWFFTRLI-UHFFFAOYSA-N
SMILES:
O=C(N1CCCCC1)Nc1ccccc1
Properties
Complexity:
206
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
204.126g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
204.273g/mol
Monoisotopic Mass:
204.126g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
32.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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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