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tert-Butyl 4-(3-carbamoylpropyl)piperidine-1-carboxylate

HCID 21949352
NotesReactions
Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

Standard SMILES
CC(C)(C)OC(=O)N1CCC(CCCC(N)=O)CC1
InChIKey
GVSGEMZBRWXTLZ-UHFFFAOYSA-N
Molecular formula
C14H26N2O3
Average molar mass
270.37 g/mol

Names & identifiers

Preferred name
tert-Butyl 4-(3-carbamoylpropyl)piperidine-1-carboxylate
IUPAC
tert-butyl 4-(4-amino-4-oxobutyl)piperidine-1-carboxylate

Names & synonyms

SCHEMBL13999420GVSGEMZBRWXTLZ-UHFFFAOYSA-Ntert-Butyl 4-(3-carbamoylpropyl)piperidine-1-carboxylate

Database identifiers

PubChem CID
21949352

Properties

Computed structural properties

XLogP
1.6
Topological polar surface area
72.6 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
3
Rotatable bonds
6
Heavy atoms
19
Formal charge
0
Complexity
315

Related reactions

5 records
New reaction record
HRID 108955 reaction equation
HRID 108955As productTraining data from https://doi.org/10.1039/C8SC04228D (2/10)
HRID 816823 reaction equation
HRID 816823As reactantTest data from https://doi.org/10.1039/C8SC04228D
HRID 2215525 reaction equation
HRID 2215525As productuspto-grants-2006_09
HRID 2376847 reaction equation
HRID 2376847As productuspto-grants-2008_12
HRID 2376848 reaction equation
HRID 2376848As reactantuspto-grants-2008_12

Compound notes

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On this pageBasic informationNames & identifiersPropertiesRelated reactionsCompound notes