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ethyl 4-(3-(7-methoxy-2-oxoquinolin-1(2H)-yl)propyl)-1-(3-phenylpropyl)piperidine-4-carboxylate

HCID 59397967
NotesReactions
Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

Standard SMILES
CCOC(=O)C1(CCCn2c(=O)ccc3ccc(OC)cc32)CCN(CCCc2ccccc2)CC1
InChIKey
CNGAUQYULVHUHT-UHFFFAOYSA-N
Molecular formula
C30H38N2O4
Average molar mass
490.6 g/mol

Names & identifiers

Preferred name
ethyl 4-(3-(7-methoxy-2-oxoquinolin-1(2H)-yl)propyl)-1-(3-phenylpropyl)piperidine-4-carboxylate
IUPAC
ethyl 4-[3-(7-methoxy-2-oxoquinolin-1-yl)propyl]-1-(3-phenylpropyl)piperidine-4-carboxylate

Names & synonyms

SCHEMBL2793851CNGAUQYULVHUHT-UHFFFAOYSA-Nethyl 4-(3-(7-methoxy-2-oxoquinolin-1(2H)-yl)propyl)-1-(3-phenylpropyl)piperidine -4-carboxylateethyl 4-(3-(7-methoxy-2-oxoquinolin-1(2H)-yl)propyl)-1-(3-phenylpropyl)piperidine-4-carboxylate

Database identifiers

PubChem CID
59397967

Properties

Computed structural properties

XLogP
5.1
Topological polar surface area
59.1 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
5
Rotatable bonds
12
Heavy atoms
36
Formal charge
0
Complexity
739

Related reactions

6 records
New reaction record
HRID 39794 reaction equation
HRID 39794As productuspto-grants-2013_09
HRID 39795 reaction equation
HRID 39795As reactantuspto-grants-2013_09
HRID 1117717 reaction equation
HRID 1117717As reactantTraining data from https://doi.org/10.1039/C8SC04228D (7/10)
HRID 2161754 reaction equation
HRID 2161754As productTraining data from https://doi.org/10.1039/C8SC04228D (4/10)
HRID 2193166 reaction equation
HRID 2193166As productuspto-grants-2012_12
HRID 2193167 reaction equation
HRID 2193167As reactantuspto-grants-2012_12

Compound notes

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