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Home > Indoles and Oxindole > 85482-40-2
85482-40-2 | N-[1-[2-(1H-INDOL-3-YL)ETHYL]-PIPERIDIN-4-YL]BENZAMIDE MALEATE
CAS No: 85482-40-2 Catalog No: AG004JQM MDL No:
Product Description
Catalog Number:
AG004JQM
Chemical Name:
N-[1-[2-(1H-INDOL-3-YL)ETHYL]-PIPERIDIN-4-YL]BENZAMIDE MALEATE
CAS Number:
85482-40-2
Molecular Formula:
C26H29N3O5
Molecular Weight:
463.5256
IUPAC Name:
but-2-enedioic acid;N-[1-[2-(1H-indol-3-yl)ethyl]piperidin-4-yl]benzamide
InChI:
InChI=1S/C22H25N3O.C4H4O4/c26-22(17-6-2-1-3-7-17)24-19-11-14-25(15-12-19)13-10-18-16-23-21-9-5-4-8-20(18)21;5-3(6)1-2-4(7)8/h1-9,16,19,23H,10-15H2,(H,24,26);1-2H,(H,5,6)(H,7,8)
InChI Key:
INEOINXJHCDVLB-UHFFFAOYSA-N
SMILES:
O=C(c1ccccc1)NC1CCN(CC1)CCc1c[nH]c2c1cccc2.OC(=O)/C=C\C(=O)O
Properties
Complexity:
573
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
463.211g/mol
Formal Charge:
0
Heavy Atom Count:
34
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
463.534g/mol
Monoisotopic Mass:
463.211g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
123A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
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