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

C13H16N2O3 — CID 146573500

IUPAC3-[3-(dimethylamino)phenoxy]piperidine-2,6-dione
SMILESCN(C)c1cccc(OC2CCC(=O)NC2=O)c1
InChIInChI=1S/C13H16N2O3/c1-15(2)9-4-3-5-10(8-9)18-11-6-7-12(16)14-13(11)17/h3-5,8,11H,6-7H2,1-2H3,(H,14,16,17)
InChIKeyXJOFFYRKLNBCKR-UHFFFAOYSA-N
MW248.28 g/mol
LogP0.94
Rot. Bonds3

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

3-[3-(dimethylamino)phenoxy]piperidine-2,6-dione (PubChem CID 146573500) has the molecular formula C13H16N2O3 and a molecular weight of 248.28 g/mol. Its IUPAC name is 3-[3-(dimethylamino)phenoxy]piperidine-2,6-dione.

Molecular Properties

Compound Name3-[3-(dimethylamino)phenoxy]piperidine-2,6-dione
PubChem CID146573500
Molecular FormulaC13H16N2O3
Molecular Weight248.28 g/mol
Exact Mass248.12
IUPAC Name3-[3-(dimethylamino)phenoxy]piperidine-2,6-dione
SMILESCN(C)c1cccc(OC2CCC(=O)NC2=O)c1
InChIInChI=1S/C13H16N2O3/c1-15(2)9-4-3-5-10(8-9)18-11-6-7-12(16)14-13(11)17/h3-5,8,11H,6-7H2,1-2H3,(H,14,16,17)
InChIKeyXJOFFYRKLNBCKR-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': 'phthalimide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[3-(dimethylamino)phenoxy]piperidine-2,6-dione?
The IUPAC name of 3-[3-(dimethylamino)phenoxy]piperidine-2,6-dione (CID 146573500) is 3-[3-(dimethylamino)phenoxy]piperidine-2,6-dione.
What is the SMILES notation for 3-[3-(dimethylamino)phenoxy]piperidine-2,6-dione?
The canonical SMILES for 3-[3-(dimethylamino)phenoxy]piperidine-2,6-dione is CN(C)c1cccc(OC2CCC(=O)NC2=O)c1.
What is the InChIKey of 3-[3-(dimethylamino)phenoxy]piperidine-2,6-dione?
The InChIKey is XJOFFYRKLNBCKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O3/c1-15(2)9-4-3-5-10(8-9)18-11-6-7-12(16)14-13(11)17/h3-5,8,11H,6-7H2,1-2H3,(H,14,16,17).
What are the key properties of 3-[3-(dimethylamino)phenoxy]piperidine-2,6-dione?
3-[3-(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-[3-(dimethylamino)phenoxy]piperidine-2,6-dione is sourced from PubChem (CID 146573500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).