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

C17H24N2O — CID 80573876

IUPAC2-(2,3-dihydro-1H-indol-3-yl)-1-(2-ethylpiperidin-1-yl)ethanone
SMILESCCC1CCCCN1C(=O)CC1CNc2ccccc21
InChIInChI=1S/C17H24N2O/c1-2-14-7-5-6-10-19(14)17(20)11-13-12-18-16-9-4-3-8-15(13)16/h3-4,8-9,13-14,18H,2,5-7,10-12H2,1H3
InChIKeyCWMJIOJDGYDHQL-UHFFFAOYSA-N
MW272.39 g/mol
LogP3.38
Rot. Bonds3

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

2-(2,3-dihydro-1H-indol-3-yl)-1-(2-ethylpiperidin-1-yl)ethanone (PubChem CID 80573876) has the molecular formula C17H24N2O and a molecular weight of 272.39 g/mol. Its IUPAC name is 2-(2,3-dihydro-1H-indol-3-yl)-1-(2-ethylpiperidin-1-yl)ethanone.

Molecular Properties

Compound Name2-(2,3-dihydro-1H-indol-3-yl)-1-(2-ethylpiperidin-1-yl)ethanone
PubChem CID80573876
Molecular FormulaC17H24N2O
Molecular Weight272.39 g/mol
Exact Mass272.19
IUPAC Name2-(2,3-dihydro-1H-indol-3-yl)-1-(2-ethylpiperidin-1-yl)ethanone
SMILESCCC1CCCCN1C(=O)CC1CNc2ccccc21
InChIInChI=1S/C17H24N2O/c1-2-14-7-5-6-10-19(14)17(20)11-13-12-18-16-9-4-3-8-15(13)16/h3-4,8-9,13-14,18H,2,5-7,10-12H2,1H3
InChIKeyCWMJIOJDGYDHQL-UHFFFAOYSA-N
XLogP3.38
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.39
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2,3-dihydro-1H-indol-3-yl)-1-(2-methylpiperidin-1-yl)ethanone
CID 80573934
1-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-2-(2,3-dihydro-1H-indol-3-yl)ethanone
CID 80572891
1-(1,4-diazepan-1-yl)-2-(2,3-dihydro-1H-indol-3-yl)ethanone
CID 80573143
3-[2-(2-propylpiperidin-1-yl)ethyl]-2,3-dihydro-1H-indole
CID 83055716
2,3-dihydro-1H-indol-3-yl-[2-(2-hydroxyethyl)piperidin-1-yl]methanone
CID 80565967
1-[2-(2,3-dihydro-1H-indol-3-yl)acetyl]-4-hydroxypyrrolidine-2-carboxylic acid
CID 80572434
4-[2-(2,3-dihydro-1H-indol-3-yl)acetyl]-1-methyl-1,4-diazepan-2-one
CID 102888858
1-(2-ethylazepan-1-yl)-2-(2-hydroxyphenyl)ethanone
CID 112695780
1-(2-ethylpyrrolidin-1-yl)-2-(2-fluorophenyl)ethanone
CID 110671110
1-(2-ethylpiperidin-1-yl)-4-phenoxybutan-1-one
CID 2914939
N-cyclohexyl-2-(2,3-dihydro-1H-indol-3-yl)acetamide
CID 80573809
benzyl 4-(2-ethylpiperidin-1-yl)-4-oxobutanoate
CID 138554546

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dihydro-1H-indol-3-yl)-1-(2-ethylpiperidin-1-yl)ethanone?
The IUPAC name of 2-(2,3-dihydro-1H-indol-3-yl)-1-(2-ethylpiperidin-1-yl)ethanone (CID 80573876) is 2-(2,3-dihydro-1H-indol-3-yl)-1-(2-ethylpiperidin-1-yl)ethanone.
What is the SMILES notation for 2-(2,3-dihydro-1H-indol-3-yl)-1-(2-ethylpiperidin-1-yl)ethanone?
The canonical SMILES for 2-(2,3-dihydro-1H-indol-3-yl)-1-(2-ethylpiperidin-1-yl)ethanone is CCC1CCCCN1C(=O)CC1CNc2ccccc21.
What is the InChIKey of 2-(2,3-dihydro-1H-indol-3-yl)-1-(2-ethylpiperidin-1-yl)ethanone?
The InChIKey is CWMJIOJDGYDHQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O/c1-2-14-7-5-6-10-19(14)17(20)11-13-12-18-16-9-4-3-8-15(13)16/h3-4,8-9,13-14,18H,2,5-7,10-12H2,1H3.
What are the key properties of 2-(2,3-dihydro-1H-indol-3-yl)-1-(2-ethylpiperidin-1-yl)ethanone?
2-(2,3-dihydro-1H-indol-3-yl)-1-(2-ethylpiperidin-1-yl)ethanone has a molecular weight of 272.39 g/mol, XLogP of 3.38, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dihydro-1H-indol-3-yl)-1-(2-ethylpiperidin-1-yl)ethanone is sourced from PubChem (CID 80573876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).