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

C19H26N2O — CID 3738248

IUPAC1-(2,6-dimethyl-1H-indol-3-yl)-2-(2-ethylpiperidin-1-yl)ethanone
SMILESCCC1CCCCN1CC(=O)c1c(C)[nH]c2cc(C)ccc12
InChIInChI=1S/C19H26N2O/c1-4-15-7-5-6-10-21(15)12-18(22)19-14(3)20-17-11-13(2)8-9-16(17)19/h8-9,11,15,20H,4-7,10,12H2,1-3H3
InChIKeyHGMHOFLXGOOWRI-UHFFFAOYSA-N
MW298.43 g/mol
LogP4.23
Rot. Bonds4

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

1-(2,6-dimethyl-1H-indol-3-yl)-2-(2-ethylpiperidin-1-yl)ethanone (PubChem CID 3738248) 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-(2-ethylpiperidin-1-yl)ethanone.

Molecular Properties

Compound Name1-(2,6-dimethyl-1H-indol-3-yl)-2-(2-ethylpiperidin-1-yl)ethanone
PubChem CID3738248
Molecular FormulaC19H26N2O
Molecular Weight298.43 g/mol
Exact Mass298.20
IUPAC Name1-(2,6-dimethyl-1H-indol-3-yl)-2-(2-ethylpiperidin-1-yl)ethanone
SMILESCCC1CCCCN1CC(=O)c1c(C)[nH]c2cc(C)ccc12
InChIInChI=1S/C19H26N2O/c1-4-15-7-5-6-10-21(15)12-18(22)19-14(3)20-17-11-13(2)8-9-16(17)19/h8-9,11,15,20H,4-7,10,12H2,1-3H3
InChIKeyHGMHOFLXGOOWRI-UHFFFAOYSA-N
XLogP4.23
TPSA36.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.43
LogP ≤ 54.23
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-(2-ethylpiperidin-1-yl)ethanone?
The IUPAC name of 1-(2,6-dimethyl-1H-indol-3-yl)-2-(2-ethylpiperidin-1-yl)ethanone (CID 3738248) is 1-(2,6-dimethyl-1H-indol-3-yl)-2-(2-ethylpiperidin-1-yl)ethanone.
What is the SMILES notation for 1-(2,6-dimethyl-1H-indol-3-yl)-2-(2-ethylpiperidin-1-yl)ethanone?
The canonical SMILES for 1-(2,6-dimethyl-1H-indol-3-yl)-2-(2-ethylpiperidin-1-yl)ethanone is CCC1CCCCN1CC(=O)c1c(C)[nH]c2cc(C)ccc12.
What is the InChIKey of 1-(2,6-dimethyl-1H-indol-3-yl)-2-(2-ethylpiperidin-1-yl)ethanone?
The InChIKey is HGMHOFLXGOOWRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O/c1-4-15-7-5-6-10-21(15)12-18(22)19-14(3)20-17-11-13(2)8-9-16(17)19/h8-9,11,15,20H,4-7,10,12H2,1-3H3.
What are the key properties of 1-(2,6-dimethyl-1H-indol-3-yl)-2-(2-ethylpiperidin-1-yl)ethanone?
1-(2,6-dimethyl-1H-indol-3-yl)-2-(2-ethylpiperidin-1-yl)ethanone has a molecular weight of 298.43 g/mol, XLogP of 4.23, 4 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-(2-ethylpiperidin-1-yl)ethanone is sourced from PubChem (CID 3738248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).