tert-butyl 4-{2-oxo-1H,2H,3H-imidazo[4,5-b]pyridin-1-yl}piperidine-1-carboxylate

HCID 22293220CAS 781649-87-4

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Basic information

Standard SMILES: CC(C)(C)OC(=O)N1CCC(n2c(=O)[nH]c3ncccc32)CC1
InChIKey: ZLMQZSUGKKTLJZ-UHFFFAOYSA-N
Molecular formula: C16H22N4O3
Average molar mass: 318.37 g/mol
Monoisotopic mass: 318.16919056

Names & identifiers

Preferred name: tert-butyl 4-{2-oxo-1H,2H,3H-imidazo[4,5-b]pyridin-1-yl}piperidine-1-carboxylate
IUPAC: tert-butyl 4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carboxylate
English name: 4-(2,3-Dihydro-2-oxo-1H-imidazo[4,5-b]pyridin-1-yl)-1-piperidinecarboxylic acid 1,1-dimethylethyl ester
Molecular formula: C16H22N4O3
Molecular weight: 318.37

Names & synonyms

tert-Butyl 4-(2-oxo-2,3-dihydro-1H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carboxylatetert-butyl 4-{2-oxo-1H,2H,3H-imidazo[4,5-b]pyridin-1-yl}piperidine-1-carboxylatetert-butyl 4-(2-oxo-1H,2H,3H-imidazo(4,5-b)pyridin-1-yl)piperidine-1-carboxylatetert-Butyl 4-(2-oxo-2,3-dihydro-1H-imidazo(4,5-b)pyridin-1-yl)piperidine-1-carboxylateRefChem:893663616-594-5781649-87-4MFCD13184781tert-butyl 4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carboxylate4-(2,3-Dihydro-2-oxo-1H-imidazo[4,5-b]pyridin-1-yl)-1-piperidinecarboxylic acid 1,1-dimethylethyl ester1-(1-Boc-4-piperidyl)-1H-imidazo[4,5-b]pyridin-2(3H)-onetert-Butyl 4-{2-oxo-1H,2H,3H-imidazo-[4,5-b]pyridin-1-yl}piperidine-1-carboxylate

Show more names

1-Piperidinecarboxylic acid, 4-(2,3-dihydro-2-oxo-1H-imidazo[4,5-b]pyridin-1-yl)-, 1,1-dimethylethyl ester

PQ2K8L9HVFSCHEMBL1197774SCHEMBL31192594DTXSID60624483ZLMQZSUGKKTLJZ-UHFFFAOYSA-NCS-B0403AKOS015917817BG-0067

Database identifiers

CAS: 781649-87-4
PubChem CID: 22293220
DTXSID: DTXSID60624483
UNII: PQ2K8L9HVF
EC Number: 616-594-5

Properties

Computed structural properties

XLogP: 1.4
Topological polar surface area: 74.8 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 4
Rotatable bonds: 3
Heavy atoms: 23
Formal charge: 0
Complexity: 468

Physicochemical properties

Density: 1.32 · 1.32
storage temp.: 2 · Storage temp. 2-8°C
pka: 12.04 · 12.04±0.20(Predicted)
Appearance: Off-white to brown Solid
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302-H315-H319-H335
Precautionary statements: 261 · P261-P280-P301+P312-P302+P352-P305+P351+P338
HS Code: 2933399990 · 2933399990