1-(2-piperidin-1-ylethyl)indole-2,3-dione

C15H18N2O2 — CID 2058274

IUPAC1-(2-piperidin-1-ylethyl)indole-2,3-dione
SMILESO=C1C(=O)N(CCN2CCCCC2)c2ccccc21
InChIInChI=1S/C15H18N2O2/c18-14-12-6-2-3-7-13(12)17(15(14)19)11-10-16-8-4-1-5-9-16/h2-3,6-7H,1,4-5,8-11H2
InChIKeyBDVRMGYEEWZCGX-UHFFFAOYSA-N
MW258.32 g/mol
LogP1.70
Rot. Bonds3

About 1-(2-piperidin-1-ylethyl)indole-2,3-dione

1-(2-piperidin-1-ylethyl)indole-2,3-dione (PubChem CID 2058274) has the molecular formula C15H18N2O2 and a molecular weight of 258.32 g/mol. Its IUPAC name is 1-(2-piperidin-1-ylethyl)indole-2,3-dione.

Molecular Properties

Compound Name1-(2-piperidin-1-ylethyl)indole-2,3-dione
PubChem CID2058274
Molecular FormulaC15H18N2O2
Molecular Weight258.32 g/mol
Exact Mass258.14
IUPAC Name1-(2-piperidin-1-ylethyl)indole-2,3-dione
SMILESO=C1C(=O)N(CCN2CCCCC2)c2ccccc21
InChIInChI=1S/C15H18N2O2/c18-14-12-6-2-3-7-13(12)17(15(14)19)11-10-16-8-4-1-5-9-16/h2-3,6-7H,1,4-5,8-11H2
InChIKeyBDVRMGYEEWZCGX-UHFFFAOYSA-N
XLogP1.70
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 51.70
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-(2-piperidin-1-ylethyl)indole-2,3-dione?
The IUPAC name of 1-(2-piperidin-1-ylethyl)indole-2,3-dione (CID 2058274) is 1-(2-piperidin-1-ylethyl)indole-2,3-dione.
What is the SMILES notation for 1-(2-piperidin-1-ylethyl)indole-2,3-dione?
The canonical SMILES for 1-(2-piperidin-1-ylethyl)indole-2,3-dione is O=C1C(=O)N(CCN2CCCCC2)c2ccccc21.
What is the InChIKey of 1-(2-piperidin-1-ylethyl)indole-2,3-dione?
The InChIKey is BDVRMGYEEWZCGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O2/c18-14-12-6-2-3-7-13(12)17(15(14)19)11-10-16-8-4-1-5-9-16/h2-3,6-7H,1,4-5,8-11H2.
What are the key properties of 1-(2-piperidin-1-ylethyl)indole-2,3-dione?
1-(2-piperidin-1-ylethyl)indole-2,3-dione has a molecular weight of 258.32 g/mol, XLogP of 1.70, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-piperidin-1-ylethyl)indole-2,3-dione is sourced from PubChem (CID 2058274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).