4-(2,3-dihydro-1,4-benzodioxin-6-yl)piperidine-2,5-dione

C13H13NO4 — CID 82622892

IUPAC4-(2,3-dihydro-1,4-benzodioxin-6-yl)piperidine-2,5-dione
SMILESO=C1CC(c2ccc3c(c2)OCCO3)C(=O)CN1
InChIInChI=1S/C13H13NO4/c15-10-7-14-13(16)6-9(10)8-1-2-11-12(5-8)18-4-3-17-11/h1-2,5,9H,3-4,6-7H2,(H,14,16)
InChIKeyAZUNJUYSRMAOQF-UHFFFAOYSA-N
MW247.25 g/mol
LogP0.63
Rot. Bonds1

About 4-(2,3-dihydro-1,4-benzodioxin-6-yl)piperidine-2,5-dione

4-(2,3-dihydro-1,4-benzodioxin-6-yl)piperidine-2,5-dione (PubChem CID 82622892) has the molecular formula C13H13NO4 and a molecular weight of 247.25 g/mol. Its IUPAC name is 4-(2,3-dihydro-1,4-benzodioxin-6-yl)piperidine-2,5-dione.

Molecular Properties

Compound Name4-(2,3-dihydro-1,4-benzodioxin-6-yl)piperidine-2,5-dione
PubChem CID82622892
Molecular FormulaC13H13NO4
Molecular Weight247.25 g/mol
Exact Mass247.08
IUPAC Name4-(2,3-dihydro-1,4-benzodioxin-6-yl)piperidine-2,5-dione
SMILESO=C1CC(c2ccc3c(c2)OCCO3)C(=O)CN1
InChIInChI=1S/C13H13NO4/c15-10-7-14-13(16)6-9(10)8-1-2-11-12(5-8)18-4-3-17-11/h1-2,5,9H,3-4,6-7H2,(H,14,16)
InChIKeyAZUNJUYSRMAOQF-UHFFFAOYSA-N
XLogP0.63
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.25
LogP ≤ 50.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidine-2,5-dione
CID 82082678
5-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-2-one
CID 82158646
4-(4-bromophenyl)piperidine-2,5-dione
CID 82625295
3-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,2-diethylcyclobutan-1-one
CID 81415943
(4R,5S)-4-amino-5-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-2-one
CID 95450321
9-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,6,8,9-tetrahydropyrazolo[5,4-f]quinolin-7-one
CID 169414693
4-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-pyridin-2-yl-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridin-6-one
CID 169421680
(4R)-4-(1,3-benzodioxol-5-yl)-7,7-dimethyl-3,4,6,8-tetrahydro-1H-quinoline-2,5-dione
CID 7075014
(2S,3S)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxopyrrolidine-3-carboxylic acid
CID 138684601
1-butyl-4-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 169411356
5-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-ethylsulfanyl-1-methyl-6,8-dihydro-5H-pyrido[2,3-d]pyrimidine-4,7-dione
CID 23609611
4-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-3-methylpiperidine-2,6-dione
CID 79317475

Frequently Asked Questions

What is the IUPAC name of 4-(2,3-dihydro-1,4-benzodioxin-6-yl)piperidine-2,5-dione?
The IUPAC name of 4-(2,3-dihydro-1,4-benzodioxin-6-yl)piperidine-2,5-dione (CID 82622892) is 4-(2,3-dihydro-1,4-benzodioxin-6-yl)piperidine-2,5-dione.
What is the SMILES notation for 4-(2,3-dihydro-1,4-benzodioxin-6-yl)piperidine-2,5-dione?
The canonical SMILES for 4-(2,3-dihydro-1,4-benzodioxin-6-yl)piperidine-2,5-dione is O=C1CC(c2ccc3c(c2)OCCO3)C(=O)CN1.
What is the InChIKey of 4-(2,3-dihydro-1,4-benzodioxin-6-yl)piperidine-2,5-dione?
The InChIKey is AZUNJUYSRMAOQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13NO4/c15-10-7-14-13(16)6-9(10)8-1-2-11-12(5-8)18-4-3-17-11/h1-2,5,9H,3-4,6-7H2,(H,14,16).
What are the key properties of 4-(2,3-dihydro-1,4-benzodioxin-6-yl)piperidine-2,5-dione?
4-(2,3-dihydro-1,4-benzodioxin-6-yl)piperidine-2,5-dione has a molecular weight of 247.25 g/mol, XLogP of 0.63, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,3-dihydro-1,4-benzodioxin-6-yl)piperidine-2,5-dione is sourced from PubChem (CID 82622892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).