1-(2-ethylpiperidin-1-yl)-2-(5-methoxy-1H-indol-3-yl)ethanone

C18H24N2O2 — CID 110855888

IUPAC1-(2-ethylpiperidin-1-yl)-2-(5-methoxy-1H-indol-3-yl)ethanone
SMILESCCC1CCCCN1C(=O)Cc1c[nH]c2ccc(OC)cc12
InChIInChI=1S/C18H24N2O2/c1-3-14-6-4-5-9-20(14)18(21)10-13-12-19-17-8-7-15(22-2)11-16(13)17/h7-8,11-12,14,19H,3-6,9-10H2,1-2H3
InChIKeyDANFVBHBHATQQR-UHFFFAOYSA-N
MW300.40 g/mol
LogP3.51
Rot. Bonds4

About 1-(2-ethylpiperidin-1-yl)-2-(5-methoxy-1H-indol-3-yl)ethanone

1-(2-ethylpiperidin-1-yl)-2-(5-methoxy-1H-indol-3-yl)ethanone (PubChem CID 110855888) has the molecular formula C18H24N2O2 and a molecular weight of 300.40 g/mol. Its IUPAC name is 1-(2-ethylpiperidin-1-yl)-2-(5-methoxy-1H-indol-3-yl)ethanone.

Molecular Properties

Compound Name1-(2-ethylpiperidin-1-yl)-2-(5-methoxy-1H-indol-3-yl)ethanone
PubChem CID110855888
Molecular FormulaC18H24N2O2
Molecular Weight300.40 g/mol
Exact Mass300.18
IUPAC Name1-(2-ethylpiperidin-1-yl)-2-(5-methoxy-1H-indol-3-yl)ethanone
SMILESCCC1CCCCN1C(=O)Cc1c[nH]c2ccc(OC)cc12
InChIInChI=1S/C18H24N2O2/c1-3-14-6-4-5-9-20(14)18(21)10-13-12-19-17-8-7-15(22-2)11-16(13)17/h7-8,11-12,14,19H,3-6,9-10H2,1-2H3
InChIKeyDANFVBHBHATQQR-UHFFFAOYSA-N
XLogP3.51
TPSA45.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.40
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-(5-methoxy-1H-indol-3-yl)acetyl]piperidine-2-carboxylic acid
CID 119176125
1-[3-(dimethylamino)-4-ethylpyrrolidin-1-yl]-2-(5-methoxy-1H-indol-3-yl)ethanone
CID 71927732
1-(7-ethyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)-2-(5-methoxy-1H-indol-3-yl)ethanone
CID 172506143
1-(2-ethylpiperidin-1-yl)-2-(4-methoxyphenoxy)ethanone
CID 78762202
1-[4-(2-ethylpiperidine-1-carbonyl)piperidin-1-yl]-2-(1H-indol-3-yl)ethanone
CID 113005765
ethyl 4-[[2-(5-methoxy-1H-indol-3-yl)acetyl]amino]piperidine-1-carboxylate
CID 113209618
3-[dideuterio-[(2R)-1-(trideuteriomethyl)pyrrolidin-2-yl]methyl]-5-methoxy-1H-indole
CID 164912311
[(1S,2R)-2-methoxycyclopentyl] 2-(5-methoxy-1H-indol-3-yl)acetate
CID 96523711
3-[[(2R)-1-cyclobutylpyrrolidin-2-yl]methyl]-5-methoxy-1H-indole
CID 176854871
(3S)-1-[2-(5-methoxy-1H-indol-3-yl)acetyl]-3-methylpyrrolidine-3-carboxylic acid
CID 124687229
1-(2,3-dihydroindol-1-yl)-2-(5-methoxy-1H-indol-3-yl)ethanone
CID 110856984
5-methoxy-3-[(1-methylazetidin-2-yl)methyl]-1H-indole
CID 19970245

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethylpiperidin-1-yl)-2-(5-methoxy-1H-indol-3-yl)ethanone?
The IUPAC name of 1-(2-ethylpiperidin-1-yl)-2-(5-methoxy-1H-indol-3-yl)ethanone (CID 110855888) is 1-(2-ethylpiperidin-1-yl)-2-(5-methoxy-1H-indol-3-yl)ethanone.
What is the SMILES notation for 1-(2-ethylpiperidin-1-yl)-2-(5-methoxy-1H-indol-3-yl)ethanone?
The canonical SMILES for 1-(2-ethylpiperidin-1-yl)-2-(5-methoxy-1H-indol-3-yl)ethanone is CCC1CCCCN1C(=O)Cc1c[nH]c2ccc(OC)cc12.
What is the InChIKey of 1-(2-ethylpiperidin-1-yl)-2-(5-methoxy-1H-indol-3-yl)ethanone?
The InChIKey is DANFVBHBHATQQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O2/c1-3-14-6-4-5-9-20(14)18(21)10-13-12-19-17-8-7-15(22-2)11-16(13)17/h7-8,11-12,14,19H,3-6,9-10H2,1-2H3.
What are the key properties of 1-(2-ethylpiperidin-1-yl)-2-(5-methoxy-1H-indol-3-yl)ethanone?
1-(2-ethylpiperidin-1-yl)-2-(5-methoxy-1H-indol-3-yl)ethanone has a molecular weight of 300.40 g/mol, XLogP of 3.51, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethylpiperidin-1-yl)-2-(5-methoxy-1H-indol-3-yl)ethanone is sourced from PubChem (CID 110855888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).