CAS 1209456-28-9

1 2D Structure

2D Structure

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

1-piperidin-4-yl-3H-imidazo[4,5-b]pyridin-2-one;hydrochloride

2.1.2 InChI

InChI=1S/C11H14N4O.ClH/c16-11-14-10-9(2-1-5-13-10)15(11)8-3-6-12-7-4-8;/h1-2,5,8,12H,3-4,6-7H2,(H,13,14,16);1H

2.1.3 InChI Key

HRKQNYBSCATNDG-UHFFFAOYSA-N

2.1.4 Canonical SMILES

C1CNCCC1N2C3=C(NC2=O)N=CC=C3.Cl

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. 1209456-28-9

2. 2-oxo-1-(4-piperidinyl)-2,3-dihydro-1h-imidazo[4,5-b]pyridine Dihydrochloride

3. Schembl829108

4. Akos022186574

2.3 Create Date

2010-07-06

3 Chemical and Physical Properties

Molecular Formula	C₁₁H₁₅ClN₄O
Molecular Weight	254.71 g/mol
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	1
Exact Mass	254.0934388 g/mol
Monoisotopic Mass	254.0934388 g/mol
Topological Polar Surface Area	57.3 Å²
Heavy Atom Count	17
Formal Charge	0
Complexity	277
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	2

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