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28837-83-4 | 1H-Indole-3-carboxaldehyde, 5-methoxy-2-(1-piperidinylcarbonyl)-
CAS No: 28837-83-4 Catalog No: AG002WQ8 MDL No:
Product Description
Catalog Number:
AG002WQ8
Chemical Name:
1H-Indole-3-carboxaldehyde, 5-methoxy-2-(1-piperidinylcarbonyl)-
CAS Number:
28837-83-4
Molecular Formula:
C16H18N2O3
Molecular Weight:
286.3257
IUPAC Name:
5-methoxy-2-(piperidine-1-carbonyl)-1H-indole-3-carbaldehyde
InChI:
InChI=1S/C16H18N2O3/c1-21-11-5-6-14-12(9-11)13(10-19)15(17-14)16(20)18-7-3-2-4-8-18/h5-6,9-10,17H,2-4,7-8H2,1H3
InChI Key:
FKJQPDVLAKSNGG-UHFFFAOYSA-N
SMILES:
O=Cc1c([nH]c2c1cc(OC)cc2)C(=O)N1CCCCC1
Properties
Complexity:
395
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
286.132g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
286.331g/mol
Monoisotopic Mass:
286.132g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
62.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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