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23656-68-0 | 1-Piperidinepropanamide, N-(4-methylphenyl)-
CAS No: 23656-68-0 Catalog No: AG002O1S MDL No:
Product Description
Catalog Number:
AG002O1S
Chemical Name:
1-Piperidinepropanamide, N-(4-methylphenyl)-
CAS Number:
23656-68-0
Molecular Formula:
C15H22N2O
Molecular Weight:
246.3480
IUPAC Name:
N-(4-methylphenyl)-3-piperidin-1-ylpropanamide
InChI:
InChI=1S/C15H22N2O/c1-13-5-7-14(8-6-13)16-15(18)9-12-17-10-3-2-4-11-17/h5-8H,2-4,9-12H2,1H3,(H,16,18)
InChI Key:
QOEOJNGBKNJIGK-UHFFFAOYSA-N
SMILES:
O=C(Nc1ccc(cc1)C)CCN1CCCCC1
Properties
Complexity:
253
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
246.173g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
246.354g/mol
Monoisotopic Mass:
246.173g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
32.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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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