2-Methyl-2-[4-(piperidin-4-ylcarbamoyl)-phenyl]-propionic acid methyl ester

HCID 68459381

Notes Reactions

Substructure search Find similar structures

Basic information

Standard SMILES: COC(=O)C(C)(C)c1ccc(C(=O)NC2CCNCC2)cc1
InChIKey: JEHGAHWEKXYQAP-UHFFFAOYSA-N
Molecular formula: C17H24N2O3
Average molar mass: 304.4 g/mol
Monoisotopic mass: 304.17869263

Names & identifiers

Preferred name: 2-Methyl-2-[4-(piperidin-4-ylcarbamoyl)-phenyl]-propionic acid methyl ester
IUPAC: methyl 2-methyl-2-[4-(piperidin-4-ylcarbamoyl)phenyl]propanoate

Names & synonyms

SCHEMBL2964697JEHGAHWEKXYQAP-UHFFFAOYSA-N2-methyl-2-[4-(piperidin-4-ylcarbamoyl)-phenyl]-propionic acid methyl ester

Database identifiers

PubChem CID: 68459381

Properties

Computed structural properties

XLogP: 2
Topological polar surface area: 67.4 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 4
Rotatable bonds: 5
Heavy atoms: 22
Formal charge: 0
Complexity: 395

Related reactions

8 records

New reaction record

HRID 187755As reactantTraining data from https://doi.org/10.1039/C8SC04228D (6/10)

HRID 298562As reactantTraining data from https://doi.org/10.1039/C8SC04228D (8/10)

HRID 502399As reactantuspto-grants-2010_08

HRID 502400As reactantuspto-grants-2010_08

HRID 502401As reactantuspto-grants-2010_08

HRID 502422As reactantuspto-grants-2010_08

HRID 831054As reactantTest data from https://doi.org/10.1039/C8SC04228D

HRID 1538829As reactantTraining data from https://doi.org/10.1039/C8SC04228D (1/10)

Compound notes

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