1 2D Structure

2D Structure

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

3-piperidin-4-yl-3,4-dihydro-1H-quinolin-2-one

2.1.2 InChI

InChI=1S/C14H18N2O/c17-14-12(10-5-7-15-8-6-10)9-11-3-1-2-4-13(11)16-14/h1-4,10,12,15H,5-9H2,(H,16,17)

2.1.3 InChI Key

AUQPCILBQAUQBW-UHFFFAOYSA-N

2.1.4 Canonical SMILES

C1CNCCC1C2CC3=CC=CC=C3NC2=O

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. Schembl2213586

2. Ft-0743220

2.3 Create Date

2007-12-04

3 Chemical and Physical Properties

Molecular Formula	C₁₄H₁₈N₂O
Molecular Weight	230.31 g/mol
XLogP3	1.4
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	1
Exact Mass	g/mol
Monoisotopic Mass	g/mol
Topological Polar Surface Area	41.1
Heavy Atom Count	17
Formal Charge	0
Complexity	286
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1

CAS 741235-48-3