3-[1,3-benzodioxol-5-ylmethyl(methyl)amino]piperidine-2,6-dione

C14H16N2O4 — CID 130431885

IUPAC3-[1,3-benzodioxol-5-ylmethyl(methyl)amino]piperidine-2,6-dione
SMILESCN(Cc1ccc2c(c1)OCO2)C1CCC(=O)NC1=O
InChIInChI=1S/C14H16N2O4/c1-16(10-3-5-13(17)15-14(10)18)7-9-2-4-11-12(6-9)20-8-19-11/h2,4,6,10H,3,5,7-8H2,1H3,(H,15,17,18)
InChIKeyLOJPWPOCZORRHI-UHFFFAOYSA-N
MW276.29 g/mol
LogP0.65
Rot. Bonds3

About 3-[1,3-benzodioxol-5-ylmethyl(methyl)amino]piperidine-2,6-dione

3-[1,3-benzodioxol-5-ylmethyl(methyl)amino]piperidine-2,6-dione (PubChem CID 130431885) has the molecular formula C14H16N2O4 and a molecular weight of 276.29 g/mol. Its IUPAC name is 3-[1,3-benzodioxol-5-ylmethyl(methyl)amino]piperidine-2,6-dione.

Molecular Properties

Compound Name3-[1,3-benzodioxol-5-ylmethyl(methyl)amino]piperidine-2,6-dione
PubChem CID130431885
Molecular FormulaC14H16N2O4
Molecular Weight276.29 g/mol
Exact Mass276.11
IUPAC Name3-[1,3-benzodioxol-5-ylmethyl(methyl)amino]piperidine-2,6-dione
SMILESCN(Cc1ccc2c(c1)OCO2)C1CCC(=O)NC1=O
InChIInChI=1S/C14H16N2O4/c1-16(10-3-5-13(17)15-14(10)18)7-9-2-4-11-12(6-9)20-8-19-11/h2,4,6,10H,3,5,7-8H2,1H3,(H,15,17,18)
InChIKeyLOJPWPOCZORRHI-UHFFFAOYSA-N
XLogP0.65
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.29
LogP ≤ 50.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-(1,3-benzodioxol-5-ylmethyl)pyrrolidine-2,5-dione
CID 82159047
N-(1,3-benzodioxol-5-ylmethyl)-N-methylazetidin-3-amine
CID 66188232
N-(1,3-benzodioxol-5-ylmethyl)-N-methylcyclohex-3-en-1-amine
CID 53412236
N'-(1,3-benzodioxol-5-ylmethyl)-N'-methylmethanediamine
CID 115225852
2-[[(2,6-dioxopiperidin-3-yl)-methylamino]methyl]-4-hydroxybenzaldehyde;ethane
CID 166469610
N-(1,3-benzodioxol-5-ylmethyl)-N-methylcyclopropanecarboxamide
CID 60655395
5-(1,3-benzodioxol-5-ylmethyl)-2-sulfanylidene-1,3-diazinane-4,6-dione
CID 3741392
5-(1,3-benzodioxol-5-ylmethyl)-5-methylpyrrolidin-2-one
CID 104687362
2-[[(2,6-dioxopiperidin-3-yl)-methylamino]methyl]-3-methylbenzaldehyde
CID 153393829
5-[(1,3-benzodioxol-5-ylmethylamino)methyl]pyrrolidin-2-one
CID 60727716
[1,3-benzodioxol-5-ylmethyl(methyl)amino]methanol
CID 115229115
1-(1,3-benzodioxol-5-ylmethyl)-1-methyl-3-[(3R)-2-oxoazepan-3-yl]urea
CID 94030634

Frequently Asked Questions

What is the IUPAC name of 3-[1,3-benzodioxol-5-ylmethyl(methyl)amino]piperidine-2,6-dione?
The IUPAC name of 3-[1,3-benzodioxol-5-ylmethyl(methyl)amino]piperidine-2,6-dione (CID 130431885) is 3-[1,3-benzodioxol-5-ylmethyl(methyl)amino]piperidine-2,6-dione.
What is the SMILES notation for 3-[1,3-benzodioxol-5-ylmethyl(methyl)amino]piperidine-2,6-dione?
The canonical SMILES for 3-[1,3-benzodioxol-5-ylmethyl(methyl)amino]piperidine-2,6-dione is CN(Cc1ccc2c(c1)OCO2)C1CCC(=O)NC1=O.
What is the InChIKey of 3-[1,3-benzodioxol-5-ylmethyl(methyl)amino]piperidine-2,6-dione?
The InChIKey is LOJPWPOCZORRHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O4/c1-16(10-3-5-13(17)15-14(10)18)7-9-2-4-11-12(6-9)20-8-19-11/h2,4,6,10H,3,5,7-8H2,1H3,(H,15,17,18).
What are the key properties of 3-[1,3-benzodioxol-5-ylmethyl(methyl)amino]piperidine-2,6-dione?
3-[1,3-benzodioxol-5-ylmethyl(methyl)amino]piperidine-2,6-dione has a molecular weight of 276.29 g/mol, XLogP of 0.65, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1,3-benzodioxol-5-ylmethyl(methyl)amino]piperidine-2,6-dione is sourced from PubChem (CID 130431885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).