1-(1-methylpiperidin-4-yl)indole-2,3-dione

C14H16N2O2 — CID 168796503

IUPAC1-(1-methylpiperidin-4-yl)indole-2,3-dione
SMILESCN1CCC(N2C(=O)C(=O)c3ccccc32)CC1
InChIInChI=1S/C14H16N2O2/c1-15-8-6-10(7-9-15)16-12-5-3-2-4-11(12)13(17)14(16)18/h2-5,10H,6-9H2,1H3
InChIKeyUVIUBFAUCYBCGH-UHFFFAOYSA-N
MW244.29 g/mol
LogP1.31
Rot. Bonds1

About 1-(1-methylpiperidin-4-yl)indole-2,3-dione

1-(1-methylpiperidin-4-yl)indole-2,3-dione (PubChem CID 168796503) has the molecular formula C14H16N2O2 and a molecular weight of 244.29 g/mol. Its IUPAC name is 1-(1-methylpiperidin-4-yl)indole-2,3-dione.

Molecular Properties

Compound Name1-(1-methylpiperidin-4-yl)indole-2,3-dione
PubChem CID168796503
Molecular FormulaC14H16N2O2
Molecular Weight244.29 g/mol
Exact Mass244.12
IUPAC Name1-(1-methylpiperidin-4-yl)indole-2,3-dione
SMILESCN1CCC(N2C(=O)C(=O)c3ccccc32)CC1
InChIInChI=1S/C14H16N2O2/c1-15-8-6-10(7-9-15)16-12-5-3-2-4-11(12)13(17)14(16)18/h2-5,10H,6-9H2,1H3
InChIKeyUVIUBFAUCYBCGH-UHFFFAOYSA-N
XLogP1.31
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 51.31
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-(1-methylpiperidin-4-yl)indole-2,3-dione?
The IUPAC name of 1-(1-methylpiperidin-4-yl)indole-2,3-dione (CID 168796503) is 1-(1-methylpiperidin-4-yl)indole-2,3-dione.
What is the SMILES notation for 1-(1-methylpiperidin-4-yl)indole-2,3-dione?
The canonical SMILES for 1-(1-methylpiperidin-4-yl)indole-2,3-dione is CN1CCC(N2C(=O)C(=O)c3ccccc32)CC1.
What is the InChIKey of 1-(1-methylpiperidin-4-yl)indole-2,3-dione?
The InChIKey is UVIUBFAUCYBCGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O2/c1-15-8-6-10(7-9-15)16-12-5-3-2-4-11(12)13(17)14(16)18/h2-5,10H,6-9H2,1H3.
What are the key properties of 1-(1-methylpiperidin-4-yl)indole-2,3-dione?
1-(1-methylpiperidin-4-yl)indole-2,3-dione has a molecular weight of 244.29 g/mol, XLogP of 1.31, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methylpiperidin-4-yl)indole-2,3-dione is sourced from PubChem (CID 168796503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).