4-(m-Nitrophenyl)-2-butanone

Catalog Number	ACM1277168281
CAS	1277168-28-1
Structure
IUPAC Name	(3S)-3-(dibenzylamino)piperidin-2-one
Synonyms	4-(m-Nitrophenyl)-2-butanone;(3S)-3-(dibenzylamino)piperidin-2-one;1277168-28-1
Molecular Weight	294.4g/mol
Molecular Formula	C19H22N2O
Canonical SMILES	C1CC(C(=O)NC1)N(CC2=CC=CC=C2)CC3=CC=CC=C3
InChI	InChI=1S/C19H22N2O/c22-19-18(12-7-13-20-19)21(14-16-8-3-1-4-9-16)15-17-10-5-2-6-11-17/h1-6,8-11,18H,7,12-15H2,(H,20,22)/t18-/m0/s1
InChI Key	KISOIOBURBIATQ-SFHVURJKSA-N
Complexity	325
Covalently-Bonded Unit Count	1
Exact Mass	294.173213330g/mol
Heavy Atom Count	22
Hydrogen Bond Acceptor Count	2
Monoisotopic Mass	294.173213330g/mol
Rotatable Bond Count	5
Topological Polar Surface Area	32.3Å²
X Log P3	3.1

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