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88264-09-9 | 2-Piperidinone, 3-[2-(methylamino)benzoyl]-1-(phenylmethyl)-
CAS No: 88264-09-9 Catalog No: AG0049ZE MDL No:
Product Description
Catalog Number:
AG0049ZE
Chemical Name:
2-Piperidinone, 3-[2-(methylamino)benzoyl]-1-(phenylmethyl)-
CAS Number:
88264-09-9
Molecular Formula:
C20H22N2O2
Molecular Weight:
322.4009
IUPAC Name:
1-benzyl-3-[2-(methylamino)benzoyl]piperidin-2-one
InChI:
InChI=1S/C20H22N2O2/c1-21-18-12-6-5-10-16(18)19(23)17-11-7-13-22(20(17)24)14-15-8-3-2-4-9-15/h2-6,8-10,12,17,21H,7,11,13-14H2,1H3
InChI Key:
RSJZTMIQKMEARD-UHFFFAOYSA-N
SMILES:
CNc1ccccc1C(=O)C1CCCN(C1=O)Cc1ccccc1
Properties
Complexity:
445
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
322.168g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
322.408g/mol
Monoisotopic Mass:
322.168g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
49.4A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8
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