1-(1-Benzyl-piperidin-4-yl)-1,3-dihydro-indol-2-one

HCID 3655995

Notes Reactions

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Basic information

Standard SMILES: O=C1Cc2ccccc2N1C1CCN(Cc2ccccc2)CC1
InChIKey: ZRIOIQJUIUJPED-UHFFFAOYSA-N
Molecular formula: C20H22N2O
Average molar mass: 306.4 g/mol
Monoisotopic mass: 306.17321333

Names & identifiers

Preferred name: 1-(1-Benzyl-piperidin-4-yl)-1,3-dihydro-indol-2-one
IUPAC: 1-(1-benzylpiperidin-4-yl)-3H-indol-2-one

Names & synonyms

CHEMBL320874MixCom1_000086Peakdale1_00285816223-24-8SCHEMBL181682ZRIOIQJUIUJPED-UHFFFAOYSA-NBDBM501477461-(1-Benzyl-4-piperidyl)indol-2-oneDA-09620SR-01000388095SR-01000388095-11-(1-Benzyl-piperidin-4-yl)-1,3-dihydro-indol-2-one

Database identifiers

PubChem CID: 3655995
ChEMBL: CHEMBL320874
Nikkaji: J2.099.281F

Properties

Computed structural properties

XLogP: 3
Topological polar surface area: 23.6 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 2
Rotatable bonds: 3
Heavy atoms: 23
Formal charge: 0
Complexity: 410

Related reactions

3 records

New reaction record

HRID 1377686As productuspto-grants-1997_09

HRID 1377687As reactantuspto-grants-1997_09

HRID 2144688As reactantTraining data from https://doi.org/10.1039/C8SC04228D (4/10)

Compound notes

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