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Home > Indoles and Oxindole > 827316-88-1
827316-88-1 | Piperidine, 1-[[2-(1H-pyrazol-3-yl)-1H-indol-5-yl]carbonyl]-
CAS No: 827316-88-1 Catalog No: AG004V51 MDL No:
Product Description
Catalog Number:
AG004V51
Chemical Name:
Piperidine, 1-[[2-(1H-pyrazol-3-yl)-1H-indol-5-yl]carbonyl]-
CAS Number:
827316-88-1
Molecular Formula:
C17H18N4O
Molecular Weight:
294.3510
IUPAC Name:
piperidin-1-yl-[2-(1H-pyrazol-5-yl)-1H-indol-5-yl]methanone
InChI:
InChI=1S/C17H18N4O/c22-17(21-8-2-1-3-9-21)12-4-5-14-13(10-12)11-16(19-14)15-6-7-18-20-15/h4-7,10-11,19H,1-3,8-9H2,(H,18,20)
InChI Key:
MEOGRKDERLIMCS-UHFFFAOYSA-N
SMILES:
O=C(c1ccc2c(c1)cc([nH]2)c1n[nH]cc1)N1CCCCC1
Properties
Complexity:
410
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
294.148g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
294.358g/mol
Monoisotopic Mass:
294.148g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
64.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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