3-[4-(dimethylamino)phenoxy]piperidine-2,6-dione

C13H16N2O3 — CID 155261508

IUPAC3-[4-(dimethylamino)phenoxy]piperidine-2,6-dione
SMILESCN(C)c1ccc(OC2CCC(=O)NC2=O)cc1
InChIInChI=1S/C13H16N2O3/c1-15(2)9-3-5-10(6-4-9)18-11-7-8-12(16)14-13(11)17/h3-6,11H,7-8H2,1-2H3,(H,14,16,17)
InChIKeyMARCHYNTSYAEKU-UHFFFAOYSA-N
MW248.28 g/mol
LogP0.94
Rot. Bonds3

About 3-[4-(dimethylamino)phenoxy]piperidine-2,6-dione

3-[4-(dimethylamino)phenoxy]piperidine-2,6-dione (PubChem CID 155261508) has the molecular formula C13H16N2O3 and a molecular weight of 248.28 g/mol. Its IUPAC name is 3-[4-(dimethylamino)phenoxy]piperidine-2,6-dione.

Molecular Properties

Compound Name3-[4-(dimethylamino)phenoxy]piperidine-2,6-dione
PubChem CID155261508
Molecular FormulaC13H16N2O3
Molecular Weight248.28 g/mol
Exact Mass248.12
IUPAC Name3-[4-(dimethylamino)phenoxy]piperidine-2,6-dione
SMILESCN(C)c1ccc(OC2CCC(=O)NC2=O)cc1
InChIInChI=1S/C13H16N2O3/c1-15(2)9-3-5-10(6-4-9)18-11-7-8-12(16)14-13(11)17/h3-6,11H,7-8H2,1-2H3,(H,14,16,17)
InChIKeyMARCHYNTSYAEKU-UHFFFAOYSA-N
XLogP0.94
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.28
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

3-[4-(3-methoxypropoxy)phenoxy]piperidine-2,6-dione
CID 167027389
3-(4-piperidin-3-ylphenoxy)piperidine-2,6-dione
CID 166472314
3-(4-methylphenoxy)pyrrolidine-2,5-dione
CID 20648098
4-[4-(2,6-dioxopiperidin-3-yl)oxyphenyl]piperazine-1-carboxylic acid
CID 156506164
3-[4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)phenoxy]piperidine-2,6-dione
CID 172616793
3-[4-[1-(1-aminoethenyl)piperidin-4-yl]phenoxy]piperidine-2,6-dione
CID 162725566
3-[4-(3-piperazin-1-ylazetidin-1-yl)phenoxy]piperidine-2,6-dione
CID 177362134
3-[4-[[(3S)-morpholin-3-yl]methyl]phenoxy]piperidine-2,6-dione
CID 166471884
3-(3-fluorosulfonyloxy-4-methoxyphenoxy)-2,6-dioxopiperidine;molecular hydrogen
CID 177010401
3-[4-(methylamino)phenoxy]-1,3,4,5-tetrahydro-1-benzazepin-2-one
CID 103313850
N-[3-(2,6-dioxopiperidin-3-yl)oxyphenyl]sulfamoyl fluoride;molecular hydrogen
CID 177010392
4-[4-[4-(2,6-dioxopiperidin-3-yl)oxyphenyl]piperidin-1-yl]butanoic acid
CID 159240821

Frequently Asked Questions

What is the IUPAC name of 3-[4-(dimethylamino)phenoxy]piperidine-2,6-dione?
The IUPAC name of 3-[4-(dimethylamino)phenoxy]piperidine-2,6-dione (CID 155261508) is 3-[4-(dimethylamino)phenoxy]piperidine-2,6-dione.
What is the SMILES notation for 3-[4-(dimethylamino)phenoxy]piperidine-2,6-dione?
The canonical SMILES for 3-[4-(dimethylamino)phenoxy]piperidine-2,6-dione is CN(C)c1ccc(OC2CCC(=O)NC2=O)cc1.
What is the InChIKey of 3-[4-(dimethylamino)phenoxy]piperidine-2,6-dione?
The InChIKey is MARCHYNTSYAEKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O3/c1-15(2)9-3-5-10(6-4-9)18-11-7-8-12(16)14-13(11)17/h3-6,11H,7-8H2,1-2H3,(H,14,16,17).
What are the key properties of 3-[4-(dimethylamino)phenoxy]piperidine-2,6-dione?
3-[4-(dimethylamino)phenoxy]piperidine-2,6-dione has a molecular weight of 248.28 g/mol, XLogP of 0.94, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(dimethylamino)phenoxy]piperidine-2,6-dione is sourced from PubChem (CID 155261508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).