1-methyl-6-(2-propylpiperidin-1-yl)indole-2,3-dione

C17H22N2O2 — CID 83044090

IUPAC1-methyl-6-(2-propylpiperidin-1-yl)indole-2,3-dione
SMILESCCCC1CCCCN1c1ccc2c(c1)N(C)C(=O)C2=O
InChIInChI=1S/C17H22N2O2/c1-3-6-12-7-4-5-10-19(12)13-8-9-14-15(11-13)18(2)17(21)16(14)20/h8-9,11-12H,3-7,10H2,1-2H3
InChIKeyWZPYBJLLIWGOJM-UHFFFAOYSA-N
MW286.38 g/mol
LogP3.00
Rot. Bonds3

About 1-methyl-6-(2-propylpiperidin-1-yl)indole-2,3-dione

1-methyl-6-(2-propylpiperidin-1-yl)indole-2,3-dione (PubChem CID 83044090) has the molecular formula C17H22N2O2 and a molecular weight of 286.38 g/mol. Its IUPAC name is 1-methyl-6-(2-propylpiperidin-1-yl)indole-2,3-dione.

Molecular Properties

Compound Name1-methyl-6-(2-propylpiperidin-1-yl)indole-2,3-dione
PubChem CID83044090
Molecular FormulaC17H22N2O2
Molecular Weight286.38 g/mol
Exact Mass286.17
IUPAC Name1-methyl-6-(2-propylpiperidin-1-yl)indole-2,3-dione
SMILESCCCC1CCCCN1c1ccc2c(c1)N(C)C(=O)C2=O
InChIInChI=1S/C17H22N2O2/c1-3-6-12-7-4-5-10-19(12)13-8-9-14-15(11-13)18(2)17(21)16(14)20/h8-9,11-12H,3-7,10H2,1-2H3
InChIKeyWZPYBJLLIWGOJM-UHFFFAOYSA-N
XLogP3.00
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-6-(2-propylpiperidin-1-yl)indole-2,3-dione?
The IUPAC name of 1-methyl-6-(2-propylpiperidin-1-yl)indole-2,3-dione (CID 83044090) is 1-methyl-6-(2-propylpiperidin-1-yl)indole-2,3-dione.
What is the SMILES notation for 1-methyl-6-(2-propylpiperidin-1-yl)indole-2,3-dione?
The canonical SMILES for 1-methyl-6-(2-propylpiperidin-1-yl)indole-2,3-dione is CCCC1CCCCN1c1ccc2c(c1)N(C)C(=O)C2=O.
What is the InChIKey of 1-methyl-6-(2-propylpiperidin-1-yl)indole-2,3-dione?
The InChIKey is WZPYBJLLIWGOJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O2/c1-3-6-12-7-4-5-10-19(12)13-8-9-14-15(11-13)18(2)17(21)16(14)20/h8-9,11-12H,3-7,10H2,1-2H3.
What are the key properties of 1-methyl-6-(2-propylpiperidin-1-yl)indole-2,3-dione?
1-methyl-6-(2-propylpiperidin-1-yl)indole-2,3-dione has a molecular weight of 286.38 g/mol, XLogP of 3.00, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-6-(2-propylpiperidin-1-yl)indole-2,3-dione is sourced from PubChem (CID 83044090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).