4-[2-(1,3-benzodioxol-5-yl)ethyl]-4-methylpiperidine-2,6-dione

C15H17NO4 — CID 63156202

IUPAC4-[2-(1,3-benzodioxol-5-yl)ethyl]-4-methylpiperidine-2,6-dione
SMILESCC1(CCc2ccc3c(c2)OCO3)CC(=O)NC(=O)C1
InChIInChI=1S/C15H17NO4/c1-15(7-13(17)16-14(18)8-15)5-4-10-2-3-11-12(6-10)20-9-19-11/h2-3,6H,4-5,7-9H2,1H3,(H,16,17,18)
InChIKeyJBOCKBIXKBPIDM-UHFFFAOYSA-N
MW275.30 g/mol
LogP1.79
Rot. Bonds3

About 4-[2-(1,3-benzodioxol-5-yl)ethyl]-4-methylpiperidine-2,6-dione

4-[2-(1,3-benzodioxol-5-yl)ethyl]-4-methylpiperidine-2,6-dione (PubChem CID 63156202) has the molecular formula C15H17NO4 and a molecular weight of 275.30 g/mol. Its IUPAC name is 4-[2-(1,3-benzodioxol-5-yl)ethyl]-4-methylpiperidine-2,6-dione.

Molecular Properties

Compound Name4-[2-(1,3-benzodioxol-5-yl)ethyl]-4-methylpiperidine-2,6-dione
PubChem CID63156202
Molecular FormulaC15H17NO4
Molecular Weight275.30 g/mol
Exact Mass275.12
IUPAC Name4-[2-(1,3-benzodioxol-5-yl)ethyl]-4-methylpiperidine-2,6-dione
SMILESCC1(CCc2ccc3c(c2)OCO3)CC(=O)NC(=O)C1
InChIInChI=1S/C15H17NO4/c1-15(7-13(17)16-14(18)8-15)5-4-10-2-3-11-12(6-10)20-9-19-11/h2-3,6H,4-5,7-9H2,1H3,(H,16,17,18)
InChIKeyJBOCKBIXKBPIDM-UHFFFAOYSA-N
XLogP1.79
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.30
LogP ≤ 51.79
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-(1,3-benzodioxol-5-yl)ethyl]-4-methylpyrrolidin-2-one
CID 66109327
4-(1,3-benzodioxol-5-yl)-4-methylpiperidine-2,6-dione
CID 63156117
5-(1,3-benzodioxol-5-ylmethyl)-5-methylpyrrolidin-2-one
CID 104687362
2-[2-(1,3-benzodioxol-5-yl)ethyl]-2-methyl-1,3-dihydroquinazolin-4-one
CID 2920345
5-[2-(1,3-benzodioxol-5-yl)ethyl]-5-methyl-1,4-dihydroimidazol-2-amine
CID 79510222
2-[4-(1,3-benzodioxol-5-yl)butylidene]-5,5-dimethylcyclohexane-1,3-dione
CID 123688422
3-[4-(1,3-benzodioxol-5-yl)butan-2-ylidene]pyrrolidine-2,5-dione
CID 77039971
N-[3-(1,3-benzodioxol-5-yl)propyl]-N-methylhydroxylamine
CID 171783070
1-(1,3-benzodioxol-5-yl)-N-[(1-methylcyclopropyl)methyl]methanamine
CID 107165772
2-[4-[2-(1,3-benzodioxol-5-yl)ethyl]-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-methylacetamide
CID 51106618
5-(2-chloroethyl)-1,3-benzodioxole
CID 15815969
8-(1,3-benzodioxol-5-yl)octan-2-one
CID 529778

Frequently Asked Questions

What is the IUPAC name of 4-[2-(1,3-benzodioxol-5-yl)ethyl]-4-methylpiperidine-2,6-dione?
The IUPAC name of 4-[2-(1,3-benzodioxol-5-yl)ethyl]-4-methylpiperidine-2,6-dione (CID 63156202) is 4-[2-(1,3-benzodioxol-5-yl)ethyl]-4-methylpiperidine-2,6-dione.
What is the SMILES notation for 4-[2-(1,3-benzodioxol-5-yl)ethyl]-4-methylpiperidine-2,6-dione?
The canonical SMILES for 4-[2-(1,3-benzodioxol-5-yl)ethyl]-4-methylpiperidine-2,6-dione is CC1(CCc2ccc3c(c2)OCO3)CC(=O)NC(=O)C1.
What is the InChIKey of 4-[2-(1,3-benzodioxol-5-yl)ethyl]-4-methylpiperidine-2,6-dione?
The InChIKey is JBOCKBIXKBPIDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO4/c1-15(7-13(17)16-14(18)8-15)5-4-10-2-3-11-12(6-10)20-9-19-11/h2-3,6H,4-5,7-9H2,1H3,(H,16,17,18).
What are the key properties of 4-[2-(1,3-benzodioxol-5-yl)ethyl]-4-methylpiperidine-2,6-dione?
4-[2-(1,3-benzodioxol-5-yl)ethyl]-4-methylpiperidine-2,6-dione has a molecular weight of 275.30 g/mol, XLogP of 1.79, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(1,3-benzodioxol-5-yl)ethyl]-4-methylpiperidine-2,6-dione is sourced from PubChem (CID 63156202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).