1-(2,6-dimethyl-1H-indol-3-yl)-2-(3,5-dimethylpiperidin-1-yl)ethanone

C19H26N2O — CID 5159585

IUPAC1-(2,6-dimethyl-1H-indol-3-yl)-2-(3,5-dimethylpiperidin-1-yl)ethanone
SMILESCc1ccc2c(C(=O)CN3CC(C)CC(C)C3)c(C)[nH]c2c1
InChIInChI=1S/C19H26N2O/c1-12-5-6-16-17(8-12)20-15(4)19(16)18(22)11-21-9-13(2)7-14(3)10-21/h5-6,8,13-14,20H,7,9-11H2,1-4H3
InChIKeyGCGMLBYPUYKAJU-UHFFFAOYSA-N
MW298.43 g/mol
LogP3.95
Rot. Bonds3

About 1-(2,6-dimethyl-1H-indol-3-yl)-2-(3,5-dimethylpiperidin-1-yl)ethanone

1-(2,6-dimethyl-1H-indol-3-yl)-2-(3,5-dimethylpiperidin-1-yl)ethanone (PubChem CID 5159585) has the molecular formula C19H26N2O and a molecular weight of 298.43 g/mol. Its IUPAC name is 1-(2,6-dimethyl-1H-indol-3-yl)-2-(3,5-dimethylpiperidin-1-yl)ethanone.

Molecular Properties

Compound Name1-(2,6-dimethyl-1H-indol-3-yl)-2-(3,5-dimethylpiperidin-1-yl)ethanone
PubChem CID5159585
Molecular FormulaC19H26N2O
Molecular Weight298.43 g/mol
Exact Mass298.20
IUPAC Name1-(2,6-dimethyl-1H-indol-3-yl)-2-(3,5-dimethylpiperidin-1-yl)ethanone
SMILESCc1ccc2c(C(=O)CN3CC(C)CC(C)C3)c(C)[nH]c2c1
InChIInChI=1S/C19H26N2O/c1-12-5-6-16-17(8-12)20-15(4)19(16)18(22)11-21-9-13(2)7-14(3)10-21/h5-6,8,13-14,20H,7,9-11H2,1-4H3
InChIKeyGCGMLBYPUYKAJU-UHFFFAOYSA-N
XLogP3.95
TPSA36.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.43
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2,6-dimethyl-1H-indol-3-yl)-2-(3,5-dimethylpiperidin-1-yl)ethanone?
The IUPAC name of 1-(2,6-dimethyl-1H-indol-3-yl)-2-(3,5-dimethylpiperidin-1-yl)ethanone (CID 5159585) is 1-(2,6-dimethyl-1H-indol-3-yl)-2-(3,5-dimethylpiperidin-1-yl)ethanone.
What is the SMILES notation for 1-(2,6-dimethyl-1H-indol-3-yl)-2-(3,5-dimethylpiperidin-1-yl)ethanone?
The canonical SMILES for 1-(2,6-dimethyl-1H-indol-3-yl)-2-(3,5-dimethylpiperidin-1-yl)ethanone is Cc1ccc2c(C(=O)CN3CC(C)CC(C)C3)c(C)[nH]c2c1.
What is the InChIKey of 1-(2,6-dimethyl-1H-indol-3-yl)-2-(3,5-dimethylpiperidin-1-yl)ethanone?
The InChIKey is GCGMLBYPUYKAJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O/c1-12-5-6-16-17(8-12)20-15(4)19(16)18(22)11-21-9-13(2)7-14(3)10-21/h5-6,8,13-14,20H,7,9-11H2,1-4H3.
What are the key properties of 1-(2,6-dimethyl-1H-indol-3-yl)-2-(3,5-dimethylpiperidin-1-yl)ethanone?
1-(2,6-dimethyl-1H-indol-3-yl)-2-(3,5-dimethylpiperidin-1-yl)ethanone has a molecular weight of 298.43 g/mol, XLogP of 3.95, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-dimethyl-1H-indol-3-yl)-2-(3,5-dimethylpiperidin-1-yl)ethanone is sourced from PubChem (CID 5159585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).