CAS 102318-27-4 | 1-(2-phenyl-1H-indol-3-yl)-2-(piperidin-1-yl)ethane-1,2-dione | CAS Number 102318-27-4

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102318-27-4 | 1-(2-phenyl-1H-indol-3-yl)-2-(piperidin-1-yl)ethane-1,2-dione

CAS No: 102318-27-4 Catalog No: AG00IO1W MDL No:MFCD02102461

Product Description

Catalog Number:

AG00IO1W

Chemical Name:

1-(2-phenyl-1H-indol-3-yl)-2-(piperidin-1-yl)ethane-1,2-dione

CAS Number:

102318-27-4

Molecular Formula:

C21H20N2O2

Molecular Weight:

332.3957

MDL Number:

MFCD02102461

IUPAC Name:

1-(2-phenyl-1H-indol-3-yl)-2-piperidin-1-ylethane-1,2-dione

InChI:

InChI=1S/C21H20N2O2/c24-20(21(25)23-13-7-2-8-14-23)18-16-11-5-6-12-17(16)22-19(18)15-9-3-1-4-10-15/h1,3-6,9-12,22H,2,7-8,13-14H2

InChI Key:

VGZLFDCJSLGJOG-UHFFFAOYSA-N

SMILES:

O=C(C(=O)c1c([nH]c2c1cccc2)c1ccccc1)N1CCCCC1

Properties

Complexity:

494

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

332.152g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

332.403g/mol

Monoisotopic Mass:

332.152g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

53.2A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

3.9

Literature

Title	Journal
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
N,N-dialkyl-2-phenylindol-3-ylglyoxylamides. A new class of potent and selective ligands at the peripheral benzodiazepine receptor.	Journal of medicinal chemistry 20040325