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

C13H13NO4 — CID 63156117

IUPAC4-(1,3-benzodioxol-5-yl)-4-methylpiperidine-2,6-dione
SMILESCC1(c2ccc3c(c2)OCO3)CC(=O)NC(=O)C1
InChIInChI=1S/C13H13NO4/c1-13(5-11(15)14-12(16)6-13)8-2-3-9-10(4-8)18-7-17-9/h2-4H,5-7H2,1H3,(H,14,15,16)
InChIKeyAMTJVCSCCAHLPD-UHFFFAOYSA-N
MW247.25 g/mol
LogP1.11
Rot. Bonds1

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

4-(1,3-benzodioxol-5-yl)-4-methylpiperidine-2,6-dione (PubChem CID 63156117) has the molecular formula C13H13NO4 and a molecular weight of 247.25 g/mol. Its IUPAC name is 4-(1,3-benzodioxol-5-yl)-4-methylpiperidine-2,6-dione.

Molecular Properties

Compound Name4-(1,3-benzodioxol-5-yl)-4-methylpiperidine-2,6-dione
PubChem CID63156117
Molecular FormulaC13H13NO4
Molecular Weight247.25 g/mol
Exact Mass247.08
IUPAC Name4-(1,3-benzodioxol-5-yl)-4-methylpiperidine-2,6-dione
SMILESCC1(c2ccc3c(c2)OCO3)CC(=O)NC(=O)C1
InChIInChI=1S/C13H13NO4/c1-13(5-11(15)14-12(16)6-13)8-2-3-9-10(4-8)18-7-17-9/h2-4H,5-7H2,1H3,(H,14,15,16)
InChIKeyAMTJVCSCCAHLPD-UHFFFAOYSA-N
XLogP1.11
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 ≤ 51.11
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

5-(1-methylcyclobutyl)-1,3-benzodioxole
CID 130983520
4-[2-(1,3-benzodioxol-5-yl)ethyl]-4-methylpiperidine-2,6-dione
CID 63156202
3-(1,3-benzodioxol-5-yl)-3-methylpiperidine
CID 82285836
3-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-methylcyclopentan-1-one
CID 116538559
(3R,5R)-5-(1,3-benzodioxol-5-yl)-3,5-dimethyloxolan-2-one
CID 101087163
3-(aminomethyl)-3-(1,3-benzodioxol-5-yl)cyclobutan-1-one
CID 64905844
(3aR,7aR)-3a-(1,3-benzodioxol-5-yl)-3,4,5,6,7,7a-hexahydro-1H-indol-2-one
CID 15461724
2-amino-5-(1,3-benzodioxol-5-yl)-5-methyl-1,3-oxazol-4-one
CID 113404138
4-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4,5,5-trimethylpyrrolidin-2-one
CID 66108922
1-(1,3-benzodioxol-5-yl)-3,3-dimethylcyclobutane-1-carboxylic acid
CID 65000121
5-(1,3-benzodioxol-5-yl)-5-methyl-3-propylimidazolidine-2,4-dione
CID 17396815
2-[(4R)-4-(1,3-benzodioxol-5-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-butylacetamide
CID 7691962

Frequently Asked Questions

What is the IUPAC name of 4-(1,3-benzodioxol-5-yl)-4-methylpiperidine-2,6-dione?
The IUPAC name of 4-(1,3-benzodioxol-5-yl)-4-methylpiperidine-2,6-dione (CID 63156117) is 4-(1,3-benzodioxol-5-yl)-4-methylpiperidine-2,6-dione.
What is the SMILES notation for 4-(1,3-benzodioxol-5-yl)-4-methylpiperidine-2,6-dione?
The canonical SMILES for 4-(1,3-benzodioxol-5-yl)-4-methylpiperidine-2,6-dione is CC1(c2ccc3c(c2)OCO3)CC(=O)NC(=O)C1.
What is the InChIKey of 4-(1,3-benzodioxol-5-yl)-4-methylpiperidine-2,6-dione?
The InChIKey is AMTJVCSCCAHLPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13NO4/c1-13(5-11(15)14-12(16)6-13)8-2-3-9-10(4-8)18-7-17-9/h2-4H,5-7H2,1H3,(H,14,15,16).
What are the key properties of 4-(1,3-benzodioxol-5-yl)-4-methylpiperidine-2,6-dione?
4-(1,3-benzodioxol-5-yl)-4-methylpiperidine-2,6-dione has a molecular weight of 247.25 g/mol, XLogP of 1.11, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,3-benzodioxol-5-yl)-4-methylpiperidine-2,6-dione is sourced from PubChem (CID 63156117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).