HomeMCPWorkbenchSkills
HomeWorkbenchNotificationsMe
Huagongshe Open Program:[email protected]AI access: llms.txt · MCP GuidePrivacy Policy · Terms of Service · Supportv1.7.8
  1. Home
  2. /Compound

{3-[4-(4-Oxo-piperidin-1-yl)-phenyl]-ureido}-acetic acid ethyl ester

HCID 69654891
NotesReactions
Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

Standard SMILES
CCOC(=O)CNC(=O)Nc1ccc(N2CCC(=O)CC2)cc1
InChIKey
FRPFSRZUOPWLJM-UHFFFAOYSA-N
Molecular formula
C16H21N3O4
Average molar mass
319.36 g/mol

Names & identifiers

Preferred name
{3-[4-(4-Oxo-piperidin-1-yl)-phenyl]-ureido}-acetic acid ethyl ester
IUPAC
ethyl 2-[[4-(4-oxopiperidin-1-yl)phenyl]carbamoylamino]acetate

Names & synonyms

SCHEMBL6074511FRPFSRZUOPWLJM-UHFFFAOYSA-N{3-[4-(4-oxo-piperidin-1-yl)-phenyl]-ureido}-acetic acid ethyl ester{3-[4-(4-oxo-piperidine-1-yl)-phenyl]-ureido}-acetic acid ethyl ester

Database identifiers

PubChem CID
69654891

Properties

Computed structural properties

XLogP
0.8
Topological polar surface area
87.7 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
5
Rotatable bonds
6
Heavy atoms
23
Formal charge
0
Complexity
423

Related reactions

3 records
New reaction record
HRID 147746 reaction equation
HRID 147746As reactantTraining data from https://doi.org/10.1039/C8SC04228D (9/10)
HRID 1061419 reaction equation
HRID 1061419As reactantuspto-grants-2003_02
HRID 1794923 reaction equation
HRID 1794923As reactantuspto-grants-2006_04

Compound notes

Loading…

On this pageBasic informationNames & identifiersPropertiesRelated reactionsCompound notes