7-chloro-1-piperidin-4-ylindole-2,3-dione

C13H13ClN2O2 — CID 84639674

IUPAC7-chloro-1-piperidin-4-ylindole-2,3-dione
SMILESO=C1C(=O)N(C2CCNCC2)c2c(Cl)cccc21
InChIInChI=1S/C13H13ClN2O2/c14-10-3-1-2-9-11(10)16(13(18)12(9)17)8-4-6-15-7-5-8/h1-3,8,15H,4-7H2
InChIKeyQOVMTILABZGGEN-UHFFFAOYSA-N
MW264.71 g/mol
LogP1.62
Rot. Bonds1

About 7-chloro-1-piperidin-4-ylindole-2,3-dione

7-chloro-1-piperidin-4-ylindole-2,3-dione (PubChem CID 84639674) has the molecular formula C13H13ClN2O2 and a molecular weight of 264.71 g/mol. Its IUPAC name is 7-chloro-1-piperidin-4-ylindole-2,3-dione.

Molecular Properties

Compound Name7-chloro-1-piperidin-4-ylindole-2,3-dione
PubChem CID84639674
Molecular FormulaC13H13ClN2O2
Molecular Weight264.71 g/mol
Exact Mass264.07
IUPAC Name7-chloro-1-piperidin-4-ylindole-2,3-dione
SMILESO=C1C(=O)N(C2CCNCC2)c2c(Cl)cccc21
InChIInChI=1S/C13H13ClN2O2/c14-10-3-1-2-9-11(10)16(13(18)12(9)17)8-4-6-15-7-5-8/h1-3,8,15H,4-7H2
InChIKeyQOVMTILABZGGEN-UHFFFAOYSA-N
XLogP1.62
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.71
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 7-chloro-1-piperidin-4-ylindole-2,3-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 7-chloro-1-piperidin-4-ylindole-2,3-dione?
The IUPAC name of 7-chloro-1-piperidin-4-ylindole-2,3-dione (CID 84639674) is 7-chloro-1-piperidin-4-ylindole-2,3-dione.
What is the SMILES notation for 7-chloro-1-piperidin-4-ylindole-2,3-dione?
The canonical SMILES for 7-chloro-1-piperidin-4-ylindole-2,3-dione is O=C1C(=O)N(C2CCNCC2)c2c(Cl)cccc21.
What is the InChIKey of 7-chloro-1-piperidin-4-ylindole-2,3-dione?
The InChIKey is QOVMTILABZGGEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClN2O2/c14-10-3-1-2-9-11(10)16(13(18)12(9)17)8-4-6-15-7-5-8/h1-3,8,15H,4-7H2.
What are the key properties of 7-chloro-1-piperidin-4-ylindole-2,3-dione?
7-chloro-1-piperidin-4-ylindole-2,3-dione has a molecular weight of 264.71 g/mol, XLogP of 1.62, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-1-piperidin-4-ylindole-2,3-dione is sourced from PubChem (CID 84639674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).