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870888-34-9 | 3-Piperidinecarboxamide, 1-(4-cyano-1-naphthalenyl)-N,N-diethyl-
CAS No: 870888-34-9 Catalog No: AG004PNU MDL No:
Product Description
Catalog Number:
AG004PNU
Chemical Name:
3-Piperidinecarboxamide, 1-(4-cyano-1-naphthalenyl)-N,N-diethyl-
CAS Number:
870888-34-9
Molecular Formula:
C21H25N3O
Molecular Weight:
335.4427
IUPAC Name:
1-(4-cyanonaphthalen-1-yl)-N,N-diethylpiperidine-3-carboxamide
InChI:
InChI=1S/C21H25N3O/c1-3-23(4-2)21(25)17-8-7-13-24(15-17)20-12-11-16(14-22)18-9-5-6-10-19(18)20/h5-6,9-12,17H,3-4,7-8,13,15H2,1-2H3
InChI Key:
BKAAOFJAUAUBOP-UHFFFAOYSA-N
SMILES:
CCN(C(=O)C1CCCN(C1)c1ccc(c2c1cccc2)C#N)CC
Properties
Complexity:
507
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
335.2g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
335.451g/mol
Monoisotopic Mass:
335.2g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
47.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7
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