1 2D Structure

2D Structure

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

N-[4-(methoxymethyl)-1-phenylpiperidin-4-yl]-N-phenylpropanamide

2.1.2 InChI

InChI=1S/C22H28N2O2/c1-3-21(25)24(20-12-8-5-9-13-20)22(18-26-2)14-16-23(17-15-22)19-10-6-4-7-11-19/h4-13H,3,14-18H2,1-2H3

2.1.3 InChI Key

OXSWOGFECDXVAC-UHFFFAOYSA-N

2.1.4 Canonical SMILES

CCC(=O)N(C1=CC=CC=C1)C2(CCN(CC2)C3=CC=CC=C3)COC

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. 144037-62-7

2. Dtxsid00771748

2.3 Create Date

2013-05-21

3 Chemical and Physical Properties

Molecular Formula	C₂₂H₂₈N₂O₂
Molecular Weight	352.5 g/mol
XLogP3	4.1
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	6
Exact Mass	352.215078140 g/mol
Monoisotopic Mass	352.215078140 g/mol
Topological Polar Surface Area	32.8 Å²
Heavy Atom Count	26
Formal Charge	0
Complexity	433
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1

CAS 144037-62-7