5-chloro-6-(2,5-dimethylpiperidin-1-yl)-1H-indole-2,3-dione

C15H17ClN2O2 — CID 79336164

IUPAC5-chloro-6-(2,5-dimethylpiperidin-1-yl)-1H-indole-2,3-dione
SMILESCC1CCC(C)N(c2cc3c(cc2Cl)C(=O)C(=O)N3)C1
InChIInChI=1S/C15H17ClN2O2/c1-8-3-4-9(2)18(7-8)13-6-12-10(5-11(13)16)14(19)15(20)17-12/h5-6,8-9H,3-4,7H2,1-2H3,(H,17,19,20)
InChIKeyGZYCHXGXVWTWKL-UHFFFAOYSA-N
MW292.77 g/mol
LogP3.10
Rot. Bonds1

About 5-chloro-6-(2,5-dimethylpiperidin-1-yl)-1H-indole-2,3-dione

5-chloro-6-(2,5-dimethylpiperidin-1-yl)-1H-indole-2,3-dione (PubChem CID 79336164) has the molecular formula C15H17ClN2O2 and a molecular weight of 292.77 g/mol. Its IUPAC name is 5-chloro-6-(2,5-dimethylpiperidin-1-yl)-1H-indole-2,3-dione.

Molecular Properties

Compound Name5-chloro-6-(2,5-dimethylpiperidin-1-yl)-1H-indole-2,3-dione
PubChem CID79336164
Molecular FormulaC15H17ClN2O2
Molecular Weight292.77 g/mol
Exact Mass292.10
IUPAC Name5-chloro-6-(2,5-dimethylpiperidin-1-yl)-1H-indole-2,3-dione
SMILESCC1CCC(C)N(c2cc3c(cc2Cl)C(=O)C(=O)N3)C1
InChIInChI=1S/C15H17ClN2O2/c1-8-3-4-9(2)18(7-8)13-6-12-10(5-11(13)16)14(19)15(20)17-12/h5-6,8-9H,3-4,7H2,1-2H3,(H,17,19,20)
InChIKeyGZYCHXGXVWTWKL-UHFFFAOYSA-N
XLogP3.10
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.77
LogP ≤ 53.10
H-Bond Donors ≤ 51
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 5-chloro-6-(2,5-dimethylpiperidin-1-yl)-1H-indole-2,3-dione?
The IUPAC name of 5-chloro-6-(2,5-dimethylpiperidin-1-yl)-1H-indole-2,3-dione (CID 79336164) is 5-chloro-6-(2,5-dimethylpiperidin-1-yl)-1H-indole-2,3-dione.
What is the SMILES notation for 5-chloro-6-(2,5-dimethylpiperidin-1-yl)-1H-indole-2,3-dione?
The canonical SMILES for 5-chloro-6-(2,5-dimethylpiperidin-1-yl)-1H-indole-2,3-dione is CC1CCC(C)N(c2cc3c(cc2Cl)C(=O)C(=O)N3)C1.
What is the InChIKey of 5-chloro-6-(2,5-dimethylpiperidin-1-yl)-1H-indole-2,3-dione?
The InChIKey is GZYCHXGXVWTWKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN2O2/c1-8-3-4-9(2)18(7-8)13-6-12-10(5-11(13)16)14(19)15(20)17-12/h5-6,8-9H,3-4,7H2,1-2H3,(H,17,19,20).
What are the key properties of 5-chloro-6-(2,5-dimethylpiperidin-1-yl)-1H-indole-2,3-dione?
5-chloro-6-(2,5-dimethylpiperidin-1-yl)-1H-indole-2,3-dione has a molecular weight of 292.77 g/mol, XLogP of 3.10, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-6-(2,5-dimethylpiperidin-1-yl)-1H-indole-2,3-dione is sourced from PubChem (CID 79336164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).