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tert-butyl (2-oxo-2-(pyridin-2-ylamino)ethyl)(1-(2-(2-oxoquinoxalin-1(2H)-yl)ethyl)piperidin-4-yl)carbamate

HCID 59398373
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Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
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Basic information

Standard SMILES
CC(C)(C)OC(=O)N(CC(=O)Nc1ccccn1)C1CCN(CCn2c(=O)cnc3ccccc32)CC1
InChIKey
JBSWLGACBSHCRY-UHFFFAOYSA-N
Molecular formula
C27H34N6O4
Average molar mass
506.6 g/mol
Monoisotopic mass
506.26415359

Names & identifiers

Preferred name
tert-butyl (2-oxo-2-(pyridin-2-ylamino)ethyl)(1-(2-(2-oxoquinoxalin-1(2H)-yl)ethyl)piperidin-4-yl)carbamate
IUPAC
tert-butyl N-[2-oxo-2-(pyridin-2-ylamino)ethyl]-N-[1-[2-(2-oxoquinoxalin-1-yl)ethyl]piperidin-4-yl]carbamate

Names & synonyms

SCHEMBL2796862JBSWLGACBSHCRY-UHFFFAOYSA-Ntert-butyl (2-oxo-2-(pyridin-2-ylamino)ethyl)(1-(2-(2-oxoquinoxalin-1(2H)-yl)ethyl)piperidin-4-yl)carbamatetert-butyl(2-oxo-2-(pyridin-2-ylamino)ethyl)(1-(2-(2-oxoquinoxalin-1(2H)-yl)ethyl)piperidin-4-yl)carbamate

Database identifiers

PubChem CID
59398373

Properties

Computed structural propertiesFilling in

XLogP
2.5
Topological polar surface area
107 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
7
Rotatable bonds
9
Heavy atoms
37
Formal charge
0
Complexity
835

Related reactions

6 records
New reaction record
HRID 39789 reaction equation
HRID 39789As reactantuspto-grants-2013_09
HRID 149507 reaction equation
HRID 149507As reactantTraining data from https://doi.org/10.1039/C8SC04228D (9/10)
HRID 155689 reaction equation
HRID 155689As reactantTraining data from https://doi.org/10.1039/C8SC04228D (9/10)
HRID 208646 reaction equation
HRID 208646As productTraining data from https://doi.org/10.1039/C8SC04228D (6/10)
HRID 2193158 reaction equation
HRID 2193158As productuspto-grants-2012_12
HRID 2193159 reaction equation
HRID 2193159As reactantuspto-grants-2012_12

Compound notes

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