1 2D Structure

2D Structure

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

methyl 1-(8-chloronaphthalen-1-yl)-3-oxopiperidine-4-carboxylate

2.1.2 InChI

InChI=1S/C17H16ClNO3/c1-22-17(21)12-8-9-19(10-15(12)20)14-7-3-5-11-4-2-6-13(18)16(11)14/h2-7,12H,8-10H2,1H3

2.1.3 InChI Key

KJVRGUJPYLMHHX-UHFFFAOYSA-N

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. 2898538-56-0

2. Mfcd35150042

2.3 Create Date

2024-03-14

3 Chemical and Physical Properties

Molecular Formula	C₁₇H₁₆ClNO₃
Molecular Weight	317.8 g/mol
XLogP3	4
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	3
Exact Mass	Da
Monoisotopic Mass	Da
Topological Polar Surface Area	46.6
Heavy Atom Count	22
Formal Charge	0
Complexity	442
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

Methyl 1-(8-chloronaphthalen-1-yl)-3-oxopiperidine-4-carboxylate