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

C18H24N2O — CID 3847989

IUPAC1-(2,6-dimethyl-1H-indol-3-yl)-2-(3-methylpiperidin-1-yl)ethanone
SMILESCc1ccc2c(C(=O)CN3CCCC(C)C3)c(C)[nH]c2c1
InChIInChI=1S/C18H24N2O/c1-12-6-7-15-16(9-12)19-14(3)18(15)17(21)11-20-8-4-5-13(2)10-20/h6-7,9,13,19H,4-5,8,10-11H2,1-3H3
InChIKeyBPKDNISJDFGUFK-UHFFFAOYSA-N
MW284.40 g/mol
LogP3.70
Rot. Bonds3

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

1-(2,6-dimethyl-1H-indol-3-yl)-2-(3-methylpiperidin-1-yl)ethanone (PubChem CID 3847989) has the molecular formula C18H24N2O and a molecular weight of 284.40 g/mol. Its IUPAC name is 1-(2,6-dimethyl-1H-indol-3-yl)-2-(3-methylpiperidin-1-yl)ethanone.

Molecular Properties

Compound Name1-(2,6-dimethyl-1H-indol-3-yl)-2-(3-methylpiperidin-1-yl)ethanone
PubChem CID3847989
Molecular FormulaC18H24N2O
Molecular Weight284.40 g/mol
Exact Mass284.19
IUPAC Name1-(2,6-dimethyl-1H-indol-3-yl)-2-(3-methylpiperidin-1-yl)ethanone
SMILESCc1ccc2c(C(=O)CN3CCCC(C)C3)c(C)[nH]c2c1
InChIInChI=1S/C18H24N2O/c1-12-6-7-15-16(9-12)19-14(3)18(15)17(21)11-20-8-4-5-13(2)10-20/h6-7,9,13,19H,4-5,8,10-11H2,1-3H3
InChIKeyBPKDNISJDFGUFK-UHFFFAOYSA-N
XLogP3.70
TPSA36.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 53.70
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-methylpiperidin-1-yl)ethanone?
The IUPAC name of 1-(2,6-dimethyl-1H-indol-3-yl)-2-(3-methylpiperidin-1-yl)ethanone (CID 3847989) is 1-(2,6-dimethyl-1H-indol-3-yl)-2-(3-methylpiperidin-1-yl)ethanone.
What is the SMILES notation for 1-(2,6-dimethyl-1H-indol-3-yl)-2-(3-methylpiperidin-1-yl)ethanone?
The canonical SMILES for 1-(2,6-dimethyl-1H-indol-3-yl)-2-(3-methylpiperidin-1-yl)ethanone is Cc1ccc2c(C(=O)CN3CCCC(C)C3)c(C)[nH]c2c1.
What is the InChIKey of 1-(2,6-dimethyl-1H-indol-3-yl)-2-(3-methylpiperidin-1-yl)ethanone?
The InChIKey is BPKDNISJDFGUFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O/c1-12-6-7-15-16(9-12)19-14(3)18(15)17(21)11-20-8-4-5-13(2)10-20/h6-7,9,13,19H,4-5,8,10-11H2,1-3H3.
What are the key properties of 1-(2,6-dimethyl-1H-indol-3-yl)-2-(3-methylpiperidin-1-yl)ethanone?
1-(2,6-dimethyl-1H-indol-3-yl)-2-(3-methylpiperidin-1-yl)ethanone has a molecular weight of 284.40 g/mol, XLogP of 3.70, 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-methylpiperidin-1-yl)ethanone is sourced from PubChem (CID 3847989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).