3-[1-(2,6-dihydroxyphenyl)ethylamino]piperidine-2,6-dione

C13H16N2O4 — CID 107711048

IUPAC3-[1-(2,6-dihydroxyphenyl)ethylamino]piperidine-2,6-dione
SMILESCC(NC1CCC(=O)NC1=O)c1c(O)cccc1O
InChIInChI=1S/C13H16N2O4/c1-7(12-9(16)3-2-4-10(12)17)14-8-5-6-11(18)15-13(8)19/h2-4,7-8,14,16-17H,5-6H2,1H3,(H,15,18,19)
InChIKeyBRZDDDLLYSITAU-UHFFFAOYSA-N
MW264.28 g/mol
LogP0.55
Rot. Bonds3

About 3-[1-(2,6-dihydroxyphenyl)ethylamino]piperidine-2,6-dione

3-[1-(2,6-dihydroxyphenyl)ethylamino]piperidine-2,6-dione (PubChem CID 107711048) has the molecular formula C13H16N2O4 and a molecular weight of 264.28 g/mol. Its IUPAC name is 3-[1-(2,6-dihydroxyphenyl)ethylamino]piperidine-2,6-dione.

Molecular Properties

Compound Name3-[1-(2,6-dihydroxyphenyl)ethylamino]piperidine-2,6-dione
PubChem CID107711048
Molecular FormulaC13H16N2O4
Molecular Weight264.28 g/mol
Exact Mass264.11
IUPAC Name3-[1-(2,6-dihydroxyphenyl)ethylamino]piperidine-2,6-dione
SMILESCC(NC1CCC(=O)NC1=O)c1c(O)cccc1O
InChIInChI=1S/C13H16N2O4/c1-7(12-9(16)3-2-4-10(12)17)14-8-5-6-11(18)15-13(8)19/h2-4,7-8,14,16-17H,5-6H2,1H3,(H,15,18,19)
InChIKeyBRZDDDLLYSITAU-UHFFFAOYSA-N
XLogP0.55
TPSA98.66 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.28
LogP ≤ 50.55
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

3-(but-3-en-2-ylamino)piperidine-2,6-dione
CID 107907204
N-[(3S)-2,6-dioxopiperidin-3-yl]-2-hydroxybenzamide
CID 141087093
3-(3-hydroxyanilino)piperidine-2,6-dione
CID 170904961
3-[[(2-fluorophenyl)-hydroxymethyl]amino]piperidine-2,6-dione
CID 177240512
2-hydroxy-3-(propan-2-ylamino)benzaldehyde;3-(methylamino)piperidine-2,6-dione
CID 177365985
(3R)-3-[[(1S)-1-phenylethyl]amino]-1,3,4,5-tetrahydro-1-benzazepin-2-one
CID 10493022
N-(2,6-dioxopiperidin-3-yl)-2-sulfanylpropanamide
CID 107031614
N-(2,6-dioxopiperidin-3-yl)benzamide;ethane
CID 156866709
ethane;3-(4-propan-2-ylanilino)piperidine-2,6-dione
CID 170749152
3-(2-ethyl-3-propan-2-ylanilino)piperidine-2,6-dione
CID 170953285
molecular hydrogen;3-(4-propan-2-ylanilino)piperidine-2,6-dione
CID 169188670
3-[[(1R)-1-(2-fluorophenyl)ethyl]amino]pyrrolidine-2,5-dione
CID 81379800

Frequently Asked Questions

What is the IUPAC name of 3-[1-(2,6-dihydroxyphenyl)ethylamino]piperidine-2,6-dione?
The IUPAC name of 3-[1-(2,6-dihydroxyphenyl)ethylamino]piperidine-2,6-dione (CID 107711048) is 3-[1-(2,6-dihydroxyphenyl)ethylamino]piperidine-2,6-dione.
What is the SMILES notation for 3-[1-(2,6-dihydroxyphenyl)ethylamino]piperidine-2,6-dione?
The canonical SMILES for 3-[1-(2,6-dihydroxyphenyl)ethylamino]piperidine-2,6-dione is CC(NC1CCC(=O)NC1=O)c1c(O)cccc1O.
What is the InChIKey of 3-[1-(2,6-dihydroxyphenyl)ethylamino]piperidine-2,6-dione?
The InChIKey is BRZDDDLLYSITAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O4/c1-7(12-9(16)3-2-4-10(12)17)14-8-5-6-11(18)15-13(8)19/h2-4,7-8,14,16-17H,5-6H2,1H3,(H,15,18,19).
What are the key properties of 3-[1-(2,6-dihydroxyphenyl)ethylamino]piperidine-2,6-dione?
3-[1-(2,6-dihydroxyphenyl)ethylamino]piperidine-2,6-dione has a molecular weight of 264.28 g/mol, XLogP of 0.55, 3 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(2,6-dihydroxyphenyl)ethylamino]piperidine-2,6-dione is sourced from PubChem (CID 107711048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).