3-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]piperidine-2,6-dione

C15H17NO4 — CID 146573714

IUPAC3-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]piperidine-2,6-dione
SMILESCC1(C)Cc2cccc(OC3CCC(=O)NC3=O)c2O1
InChIInChI=1S/C15H17NO4/c1-15(2)8-9-4-3-5-10(13(9)20-15)19-11-6-7-12(17)16-14(11)18/h3-5,11H,6-8H2,1-2H3,(H,16,17,18)
InChIKeyZRJQXIUCMSAEEB-UHFFFAOYSA-N
MW275.30 g/mol
LogP1.58
Rot. Bonds2

About 3-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]piperidine-2,6-dione

3-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]piperidine-2,6-dione (PubChem CID 146573714) has the molecular formula C15H17NO4 and a molecular weight of 275.30 g/mol. Its IUPAC name is 3-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]piperidine-2,6-dione.

Molecular Properties

Compound Name3-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]piperidine-2,6-dione
PubChem CID146573714
Molecular FormulaC15H17NO4
Molecular Weight275.30 g/mol
Exact Mass275.12
IUPAC Name3-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]piperidine-2,6-dione
SMILESCC1(C)Cc2cccc(OC3CCC(=O)NC3=O)c2O1
InChIInChI=1S/C15H17NO4/c1-15(2)8-9-4-3-5-10(13(9)20-15)19-11-6-7-12(17)16-14(11)18/h3-5,11H,6-8H2,1-2H3,(H,16,17,18)
InChIKeyZRJQXIUCMSAEEB-UHFFFAOYSA-N
XLogP1.58
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.30
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

4-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]cyclohexan-1-amine
CID 62807246
3-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]cyclobutan-1-amine
CID 66357094
5-[(2,2-dimethyl-3H-1-benzofuran-7-yl)methyl]pyrrolidin-2-one
CID 113441329
3-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-methylcyclopentan-1-amine
CID 79642532
2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]cyclooctan-1-amine
CID 43095680
3-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-2,2-dimethylcyclobutan-1-ol
CID 66367076
3-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-ethylcyclopentan-1-amine
CID 79642651
3-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-ethyl-2,2-dimethylcyclobutan-1-amine
CID 66357294
3-[[4-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]piperidin-1-yl]methyl]-1,3-benzoxazol-2-one
CID 47060755
2,2-dimethyl-7-prop-2-enoxy-3H-1-benzofuran
CID 54215280
2,2-dimethyl-7-propoxy-3H-1-benzofuran
CID 54001928
2,2-dimethyl-7-[[(2S)-oxiran-2-yl]methoxy]-3H-1-benzofuran
CID 30075050

Frequently Asked Questions

What is the IUPAC name of 3-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]piperidine-2,6-dione?
The IUPAC name of 3-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]piperidine-2,6-dione (CID 146573714) is 3-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]piperidine-2,6-dione.
What is the SMILES notation for 3-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]piperidine-2,6-dione?
The canonical SMILES for 3-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]piperidine-2,6-dione is CC1(C)Cc2cccc(OC3CCC(=O)NC3=O)c2O1.
What is the InChIKey of 3-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]piperidine-2,6-dione?
The InChIKey is ZRJQXIUCMSAEEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO4/c1-15(2)8-9-4-3-5-10(13(9)20-15)19-11-6-7-12(17)16-14(11)18/h3-5,11H,6-8H2,1-2H3,(H,16,17,18).
What are the key properties of 3-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]piperidine-2,6-dione?
3-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]piperidine-2,6-dione has a molecular weight of 275.30 g/mol, XLogP of 1.58, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]piperidine-2,6-dione is sourced from PubChem (CID 146573714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).