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4-(2-Tert-butoxycarbonylaminoethyl)piperidine-1-carboxamide

HCID 21930985
NotesReactions
Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

Standard SMILES
CC(C)(C)OC(=O)NCCC1CCN(C(N)=O)CC1
InChIKey
YMCRUAXNVIVQOF-UHFFFAOYSA-N
Molecular formula
C13H25N3O3
Average molar mass
271.36 g/mol

Names & identifiers

Preferred name
4-(2-Tert-butoxycarbonylaminoethyl)piperidine-1-carboxamide
IUPAC
tert-butyl N-[2-(1-carbamoylpiperidin-4-yl)ethyl]carbamate

Names & synonyms

SCHEMBL1009522YMCRUAXNVIVQOF-UHFFFAOYSA-N4-(2-tert-butoxycarbonylaminoethyl)piperidine-1-carboxamide

Database identifiers

PubChem CID
21930985

Properties

Computed structural properties

XLogP
1
Topological polar surface area
84.7 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
3
Rotatable bonds
5
Heavy atoms
19
Formal charge
0
Complexity
318

Related reactions

8 records
New reaction record
HRID 459721 reaction equation
HRID 459721As productuspto-grants-2007_03
HRID 1157378 reaction equation
HRID 1157378As productuspto-grants-2010_10
HRID 1186901 reaction equation
HRID 1186901As productuspto-grants-2014_03
HRID 1228294 reaction equation
HRID 1228294As productTraining data from https://doi.org/10.1039/C8SC04228D (5/10)
HRID 1243875 reaction equation
HRID 1243875As productuspto-grants-2006_10
HRID 1373432 reaction equation
HRID 1373432As productuspto-grants-2007_01
HRID 2039563 reaction equation
HRID 2039563As productuspto-grants-2013_11
HRID 2042020 reaction equation
HRID 2042020As productuspto-grants-2013_11

Compound notes

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