1-(1,3-benzodioxole-5-carbonyl)piperidine-2,6-dione

C13H11NO5 — CID 154718540

IUPAC1-(1,3-benzodioxole-5-carbonyl)piperidine-2,6-dione
SMILESO=C1CCCC(=O)N1C(=O)c1ccc2c(c1)OCO2
InChIInChI=1S/C13H11NO5/c15-11-2-1-3-12(16)14(11)13(17)8-4-5-9-10(6-8)19-7-18-9/h4-6H,1-3,7H2
InChIKeyYKBHCRIHZXAYHV-UHFFFAOYSA-N
MW261.23 g/mol
LogP1.09
Rot. Bonds1

About 1-(1,3-benzodioxole-5-carbonyl)piperidine-2,6-dione

1-(1,3-benzodioxole-5-carbonyl)piperidine-2,6-dione (PubChem CID 154718540) has the molecular formula C13H11NO5 and a molecular weight of 261.23 g/mol. Its IUPAC name is 1-(1,3-benzodioxole-5-carbonyl)piperidine-2,6-dione.

Molecular Properties

Compound Name1-(1,3-benzodioxole-5-carbonyl)piperidine-2,6-dione
PubChem CID154718540
Molecular FormulaC13H11NO5
Molecular Weight261.23 g/mol
Exact Mass261.06
IUPAC Name1-(1,3-benzodioxole-5-carbonyl)piperidine-2,6-dione
SMILESO=C1CCCC(=O)N1C(=O)c1ccc2c(c1)OCO2
InChIInChI=1S/C13H11NO5/c15-11-2-1-3-12(16)14(11)13(17)8-4-5-9-10(6-8)19-7-18-9/h4-6H,1-3,7H2
InChIKeyYKBHCRIHZXAYHV-UHFFFAOYSA-N
XLogP1.09
TPSA72.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.23
LogP ≤ 51.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1,3-benzodioxol-5-yl-(2-methylidenepyrrolidin-1-yl)methanone
CID 163971264
1,3-benzodioxol-5-yl-(3-hydroxyazetidin-1-yl)methanone
CID 63107498
1,3-benzodioxol-5-yl(1,2,4,5-tetrahydro-3-benzazepin-3-yl)methanone
CID 162634923
1-[1-(1,3-benzodioxol-5-yl)ethenyl]azocan-2-one
CID 167431770
1-(1,3-benzodioxol-5-yl)ethanone;ethene
CID 143061160
CID 59303845
CID 59303845
1-(1,3-benzodioxol-5-yl)-2-methyl-2-pyrrolidin-1-ylpropan-1-one
CID 19879432
1,3-benzodioxol-5-yl-[4-(3,5-dihydroxybenzoyl)piperazin-1-yl]methanone
CID 108537024
3-[1-(1,3-benzodioxole-5-carbonyl)azetidin-3-yl]imidazolidine-2,4-dione
CID 121017222
1,3-benzodioxol-5-yl(3,6-dihydro-2H-pyridin-1-yl)methanone
CID 11776063
2-(1,3-benzodioxol-5-yl)-2-oxoacetyl chloride
CID 11052984
[4-(1,3-benzodioxole-5-carbonyl)-1,4-diazepan-1-yl]-(4-phenylphenyl)methanone
CID 108544309

Frequently Asked Questions

What is the IUPAC name of 1-(1,3-benzodioxole-5-carbonyl)piperidine-2,6-dione?
The IUPAC name of 1-(1,3-benzodioxole-5-carbonyl)piperidine-2,6-dione (CID 154718540) is 1-(1,3-benzodioxole-5-carbonyl)piperidine-2,6-dione.
What is the SMILES notation for 1-(1,3-benzodioxole-5-carbonyl)piperidine-2,6-dione?
The canonical SMILES for 1-(1,3-benzodioxole-5-carbonyl)piperidine-2,6-dione is O=C1CCCC(=O)N1C(=O)c1ccc2c(c1)OCO2.
What is the InChIKey of 1-(1,3-benzodioxole-5-carbonyl)piperidine-2,6-dione?
The InChIKey is YKBHCRIHZXAYHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11NO5/c15-11-2-1-3-12(16)14(11)13(17)8-4-5-9-10(6-8)19-7-18-9/h4-6H,1-3,7H2.
What are the key properties of 1-(1,3-benzodioxole-5-carbonyl)piperidine-2,6-dione?
1-(1,3-benzodioxole-5-carbonyl)piperidine-2,6-dione has a molecular weight of 261.23 g/mol, XLogP of 1.09, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-benzodioxole-5-carbonyl)piperidine-2,6-dione is sourced from PubChem (CID 154718540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).