6,7-dimethyl-1-(2-piperidin-1-ylethyl)indole-2,3-dione

C17H22N2O2 — CID 61355578

IUPAC6,7-dimethyl-1-(2-piperidin-1-ylethyl)indole-2,3-dione
SMILESCc1ccc2c(c1C)N(CCN1CCCCC1)C(=O)C2=O
InChIInChI=1S/C17H22N2O2/c1-12-6-7-14-15(13(12)2)19(17(21)16(14)20)11-10-18-8-4-3-5-9-18/h6-7H,3-5,8-11H2,1-2H3
InChIKeyAYLGYLYOKRHXQE-UHFFFAOYSA-N
MW286.38 g/mol
LogP2.32
Rot. Bonds3

About 6,7-dimethyl-1-(2-piperidin-1-ylethyl)indole-2,3-dione

6,7-dimethyl-1-(2-piperidin-1-ylethyl)indole-2,3-dione (PubChem CID 61355578) has the molecular formula C17H22N2O2 and a molecular weight of 286.38 g/mol. Its IUPAC name is 6,7-dimethyl-1-(2-piperidin-1-ylethyl)indole-2,3-dione.

Molecular Properties

Compound Name6,7-dimethyl-1-(2-piperidin-1-ylethyl)indole-2,3-dione
PubChem CID61355578
Molecular FormulaC17H22N2O2
Molecular Weight286.38 g/mol
Exact Mass286.17
IUPAC Name6,7-dimethyl-1-(2-piperidin-1-ylethyl)indole-2,3-dione
SMILESCc1ccc2c(c1C)N(CCN1CCCCC1)C(=O)C2=O
InChIInChI=1S/C17H22N2O2/c1-12-6-7-14-15(13(12)2)19(17(21)16(14)20)11-10-18-8-4-3-5-9-18/h6-7H,3-5,8-11H2,1-2H3
InChIKeyAYLGYLYOKRHXQE-UHFFFAOYSA-N
XLogP2.32
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 ≤ 52.32
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 6,7-dimethyl-1-(2-piperidin-1-ylethyl)indole-2,3-dione?
The IUPAC name of 6,7-dimethyl-1-(2-piperidin-1-ylethyl)indole-2,3-dione (CID 61355578) is 6,7-dimethyl-1-(2-piperidin-1-ylethyl)indole-2,3-dione.
What is the SMILES notation for 6,7-dimethyl-1-(2-piperidin-1-ylethyl)indole-2,3-dione?
The canonical SMILES for 6,7-dimethyl-1-(2-piperidin-1-ylethyl)indole-2,3-dione is Cc1ccc2c(c1C)N(CCN1CCCCC1)C(=O)C2=O.
What is the InChIKey of 6,7-dimethyl-1-(2-piperidin-1-ylethyl)indole-2,3-dione?
The InChIKey is AYLGYLYOKRHXQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O2/c1-12-6-7-14-15(13(12)2)19(17(21)16(14)20)11-10-18-8-4-3-5-9-18/h6-7H,3-5,8-11H2,1-2H3.
What are the key properties of 6,7-dimethyl-1-(2-piperidin-1-ylethyl)indole-2,3-dione?
6,7-dimethyl-1-(2-piperidin-1-ylethyl)indole-2,3-dione has a molecular weight of 286.38 g/mol, XLogP of 2.32, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dimethyl-1-(2-piperidin-1-ylethyl)indole-2,3-dione is sourced from PubChem (CID 61355578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).