1-(2-Methylpropionyl)-4-(6-methoxy-indan-1-yl)piperazine

HCID 22375372

Notes Reactions

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Basic information

Standard SMILES: COc1ccc2c(c1)C(N1CCN(C(=O)C(C)C)CC1)CC2
InChIKey: LGEAAKLZEDQCKA-UHFFFAOYSA-N
Molecular formula: C18H26N2O2
Average molar mass: 302.4 g/mol
Monoisotopic mass: 302.19942808

Names & identifiers

Preferred name: 1-(2-Methylpropionyl)-4-(6-methoxy-indan-1-yl)piperazine
IUPAC: 1-[4-(6-methoxy-2,3-dihydro-1H-inden-1-yl)piperazin-1-yl]-2-methylpropan-1-one

Names & synonyms

CHEMBL18808SCHEMBL8650947LGEAAKLZEDQCKA-UHFFFAOYSA-NBDBM501256471-(2-Methylpropionyl)-4-(6-methoxy-indan-1-yl)piperazine1-[4-(6-Methoxy-indan-1-yl)-piperazin-1-yl]-2-methyl-propan-1-one

Database identifiers

PubChem CID: 22375372
ChEMBL: CHEMBL18808

Properties

Computed structural properties

XLogP: 2.5
Topological polar surface area: 32.8 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 3
Rotatable bonds: 3
Heavy atoms: 22
Formal charge: 0
Complexity: 391

Related reactions

2 records

New reaction record

HRID 163880As productTraining data from https://doi.org/10.1039/C8SC04228D (9/10)

HRID 1956155As productuspto-grants-1998_07

Compound notes

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