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

C17H24N2O — CID 80573410

IUPAC2-(2,3-dihydro-1H-indol-3-yl)-1-(2,5-dimethylpiperidin-1-yl)ethanone
SMILESCC1CCC(C)N(C(=O)CC2CNc3ccccc32)C1
InChIInChI=1S/C17H24N2O/c1-12-7-8-13(2)19(11-12)17(20)9-14-10-18-16-6-4-3-5-15(14)16/h3-6,12-14,18H,7-11H2,1-2H3
InChIKeySOQICINHDUDLER-UHFFFAOYSA-N
MW272.39 g/mol
LogP3.23
Rot. Bonds2

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

2-(2,3-dihydro-1H-indol-3-yl)-1-(2,5-dimethylpiperidin-1-yl)ethanone (PubChem CID 80573410) 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-(2,5-dimethylpiperidin-1-yl)ethanone.

Molecular Properties

Compound Name2-(2,3-dihydro-1H-indol-3-yl)-1-(2,5-dimethylpiperidin-1-yl)ethanone
PubChem CID80573410
Molecular FormulaC17H24N2O
Molecular Weight272.39 g/mol
Exact Mass272.19
IUPAC Name2-(2,3-dihydro-1H-indol-3-yl)-1-(2,5-dimethylpiperidin-1-yl)ethanone
SMILESCC1CCC(C)N(C(=O)CC2CNc3ccccc32)C1
InChIInChI=1S/C17H24N2O/c1-12-7-8-13(2)19(11-12)17(20)9-14-10-18-16-6-4-3-5-15(14)16/h3-6,12-14,18H,7-11H2,1-2H3
InChIKeySOQICINHDUDLER-UHFFFAOYSA-N
XLogP3.23
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.39
LogP ≤ 53.23
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
2-(2,3-dihydro-1H-indol-3-yl)-1-(3-methylmorpholin-4-yl)ethanone
CID 80573193
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
2-(2,3-dihydro-1H-indol-3-yl)-1-(3-hydroxyazetidin-1-yl)ethanone
CID 107217538
2-(2,3-dihydro-1H-indol-3-yl)-1-(2-ethylpiperidin-1-yl)ethanone
CID 80573876
3-[2-(2,5-dimethylpiperidin-1-yl)ethyl]-2,3-dihydro-1H-indole
CID 80577266
1-[2-(2,3-dihydro-1H-indol-3-yl)acetyl]-4-hydroxypyrrolidine-2-carboxylic acid
CID 80572434
2-(2,3-dihydro-1H-indol-3-yl)-N',N'-dimethylacetohydrazide
CID 83020755
3-[(3-methylpiperidin-1-yl)methyl]-2,3-dihydro-1H-indole
CID 80567119
4-[2-(2,3-dihydro-1H-indol-3-yl)acetyl]-1-methyl-1,4-diazepan-2-one
CID 102888858
N-[2-(2,3-dihydro-1H-indol-3-yl)ethyl]-3-methylpiperidine-1-carboxamide
CID 79158396
propyl 2-(2,3-dihydro-1H-indol-3-yl)acetate
CID 79600080

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dihydro-1H-indol-3-yl)-1-(2,5-dimethylpiperidin-1-yl)ethanone?
The IUPAC name of 2-(2,3-dihydro-1H-indol-3-yl)-1-(2,5-dimethylpiperidin-1-yl)ethanone (CID 80573410) is 2-(2,3-dihydro-1H-indol-3-yl)-1-(2,5-dimethylpiperidin-1-yl)ethanone.
What is the SMILES notation for 2-(2,3-dihydro-1H-indol-3-yl)-1-(2,5-dimethylpiperidin-1-yl)ethanone?
The canonical SMILES for 2-(2,3-dihydro-1H-indol-3-yl)-1-(2,5-dimethylpiperidin-1-yl)ethanone is CC1CCC(C)N(C(=O)CC2CNc3ccccc32)C1.
What is the InChIKey of 2-(2,3-dihydro-1H-indol-3-yl)-1-(2,5-dimethylpiperidin-1-yl)ethanone?
The InChIKey is SOQICINHDUDLER-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O/c1-12-7-8-13(2)19(11-12)17(20)9-14-10-18-16-6-4-3-5-15(14)16/h3-6,12-14,18H,7-11H2,1-2H3.
What are the key properties of 2-(2,3-dihydro-1H-indol-3-yl)-1-(2,5-dimethylpiperidin-1-yl)ethanone?
2-(2,3-dihydro-1H-indol-3-yl)-1-(2,5-dimethylpiperidin-1-yl)ethanone has a molecular weight of 272.39 g/mol, XLogP of 3.23, 2 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-(2,5-dimethylpiperidin-1-yl)ethanone is sourced from PubChem (CID 80573410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).