CAS 3731-16-6 | 3-Carbethoxy-2-piperidone | CAS Number 3731-16-6

200,000+ products from a single source!

sales@angenechem.com

Product Categories

Home > Other Building Blocks > 3731-16-6

3731-16-6 | 3-Carbethoxy-2-piperidone

CAS No: 3731-16-6 Catalog No: AG003J5U MDL No:MFCD00006038

Product Description

Catalog Number:

AG003J5U

Chemical Name:

3-Carbethoxy-2-piperidone

CAS Number:

3731-16-6

Molecular Formula:

C8H13NO3

Molecular Weight:

171.1937

MDL Number:

MFCD00006038

IUPAC Name:

ethyl 2-oxopiperidine-3-carboxylate

InChI:

InChI=1S/C8H13NO3/c1-2-12-8(11)6-4-3-5-9-7(6)10/h6H,2-5H2,1H3,(H,9,10)

InChI Key:

DUMNOWYWTAYLJN-UHFFFAOYSA-N

SMILES:

CCOC(=O)C1CCCNC1=O

EC Number:

223-086-3

NSC Number:

38545

Properties

Complexity:

191

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

171.09g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

171.196g/mol

Monoisotopic Mass:

171.09g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

55.4A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

0.5

Literature

Title	Journal
7,8-dichloro-1-oxo-β-carbolines as a versatile scaffold for the development of potent and selective kinase inhibitors with unusual binding modes.	Journal of medicinal chemistry 20120112
Microsphere-based protease assays and screening application for lethal factor and factor Xa.	Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501