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methyl 1-(1-benzyloxycarbonylpiperidin-4-yl)-1H-indole-6-carboxylate

HCID 57682829
NotesReactions
Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

Standard SMILES
COC(=O)c1ccc2ccn(C3CCN(C(=O)OCc4ccccc4)CC3)c2c1
InChIKey
BRJMOXMTHWAZQV-UHFFFAOYSA-N
Molecular formula
C23H24N2O4
Average molar mass
392.4 g/mol

Names & identifiers

Preferred name
methyl 1-(1-benzyloxycarbonylpiperidin-4-yl)-1H-indole-6-carboxylate
IUPAC
methyl 1-(1-phenylmethoxycarbonylpiperidin-4-yl)indole-6-carboxylate

Names & synonyms

methyl 1-(1-benzyloxycarbonylpiperidin-4-yl)-1H-indole-6-carboxylateSCHEMBL544256BRJMOXMTHWAZQV-UHFFFAOYSA-N869561-76-2DB-125008

Database identifiers

PubChem CID
57682829

Properties

Computed structural properties

XLogP
3.7
Topological polar surface area
60.8 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
4
Rotatable bonds
6
Heavy atoms
29
Formal charge
0
Complexity
569

Related reactions

3 records
New reaction record
HRID 494910 reaction equation
HRID 494910As productuspto-grants-2009_05
HRID 494911 reaction equation
HRID 494911As reactantuspto-grants-2009_05
HRID 696170 reaction equation
HRID 696170As reactantTraining data from https://doi.org/10.1039/C8SC04228D (3/10)

Compound notes

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On this pageBasic informationNames & identifiersPropertiesRelated reactionsCompound notes