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Home > Indoles and Oxindole > 827316-96-1
827316-96-1 | 4-Piperidinol, 1-[[2-(1H-pyrazol-3-yl)-1H-indol-5-yl]carbonyl]-
CAS No: 827316-96-1 Catalog No: AG00501K MDL No:
Product Description
Catalog Number:
AG00501K
Chemical Name:
4-Piperidinol, 1-[[2-(1H-pyrazol-3-yl)-1H-indol-5-yl]carbonyl]-
CAS Number:
827316-96-1
Molecular Formula:
C17H18N4O2
Molecular Weight:
310.3504
IUPAC Name:
(4-hydroxypiperidin-1-yl)-[2-(1H-pyrazol-5-yl)-1H-indol-5-yl]methanone
InChI:
InChI=1S/C17H18N4O2/c22-13-4-7-21(8-5-13)17(23)11-1-2-14-12(9-11)10-16(19-14)15-3-6-18-20-15/h1-3,6,9-10,13,19,22H,4-5,7-8H2,(H,18,20)
InChI Key:
YONWQRCMZAENOM-UHFFFAOYSA-N
SMILES:
OC1CCN(CC1)C(=O)c1ccc2c(c1)cc([nH]2)c1n[nH]cc1
Properties
Complexity:
438
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
310.143g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
310.357g/mol
Monoisotopic Mass:
310.143g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
85A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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