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Home > Indoles and Oxindole > 13129-69-6
13129-69-6 | 1H-Indole-2,3-dione, 1-(1-piperidinylmethyl)-
CAS No: 13129-69-6 Catalog No: AG000VV3 MDL No:
Product Description
Catalog Number:
AG000VV3
Chemical Name:
1H-Indole-2,3-dione, 1-(1-piperidinylmethyl)-
CAS Number:
13129-69-6
Molecular Formula:
C14H16N2O2
Molecular Weight:
244.2890
IUPAC Name:
1-(piperidin-1-ylmethyl)indole-2,3-dione
InChI:
InChI=1S/C14H16N2O2/c17-13-11-6-2-3-7-12(11)16(14(13)18)10-15-8-4-1-5-9-15/h2-3,6-7H,1,4-5,8-10H2
InChI Key:
SUNRAOPHWRLAPV-UHFFFAOYSA-N
SMILES:
O=C1C(=O)c2c(N1CN1CCCCC1)cccc2
NSC Number:
96600
Properties
Complexity:
350
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
244.121g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
244.294g/mol
Monoisotopic Mass:
244.121g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
40.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
Literature
| Title | Journal |
|---|---|
| Hybrid pharmacophore design and synthesis of isatin-benzothiazole analogs for their anti-breast cancer activity. | Bioorganic & medicinal chemistry 20091101 |
| Selective inhibition of carboxylesterases by isatins, indole-2,3-diones. | Journal of medicinal chemistry 20070419 |
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