Tert-butyl 4-(2-(4-(ethoxycarbonyl)phenoxy)pyridin-3-YL)piperidine-1-carboxylate

HCID 59326865

Notes Reactions

Substructure search Find similar structures

Basic information

Standard SMILES: CCOC(=O)c1ccc(Oc2ncccc2C2CCN(C(=O)OC(C)(C)C)CC2)cc1
InChIKey: DQUMZNPWUDODRU-UHFFFAOYSA-N
Molecular formula: C24H30N2O5
Average molar mass: 426.5 g/mol

Names & identifiers

Preferred name: Tert-butyl 4-(2-(4-(ethoxycarbonyl)phenoxy)pyridin-3-YL)piperidine-1-carboxylate
IUPAC: tert-butyl 4-[2-(4-ethoxycarbonylphenoxy)-3-pyridinyl]piperidine-1-carboxylate

Names & synonyms

SCHEMBL2458377DQUMZNPWUDODRU-UHFFFAOYSA-NDB-4210551,1-Dimethylethyl 4-[2-[4-(ethoxycarbonyl)phenoxy]-3-pyridinyl]-1-piperidinecarboxylateTERT-BUTYL 4-(2-(4-(ETHOXYCARBONYL)PHENOXY)PYRIDIN-3-YL)PIPERIDINE-1-CARBOXYLATE1227177-23-2

Database identifiers

PubChem CID: 59326865

Properties

Computed structural properties

XLogP: 4.4
Topological polar surface area: 78 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 6
Rotatable bonds: 8
Heavy atoms: 31
Formal charge: 0
Complexity: 589

Related reactions

6 records

New reaction record

HRID 93565As productTraining data from https://doi.org/10.1039/C8SC04228D (2/10)

HRID 410276As productuspto-grants-2014_06

HRID 410277As reactantuspto-grants-2014_06

HRID 1569368As reactantTraining data from https://doi.org/10.1039/C8SC04228D (1/10)

HRID 1880141As productuspto-grants-2012_11

HRID 1880142As reactantuspto-grants-2012_11

Compound notes

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