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

C16H22N2O — CID 80573934

IUPAC2-(2,3-dihydro-1H-indol-3-yl)-1-(2-methylpiperidin-1-yl)ethanone
SMILESCC1CCCCN1C(=O)CC1CNc2ccccc21
InChIInChI=1S/C16H22N2O/c1-12-6-4-5-9-18(12)16(19)10-13-11-17-15-8-3-2-7-14(13)15/h2-3,7-8,12-13,17H,4-6,9-11H2,1H3
InChIKeyAJIHVTZXDJQDIU-UHFFFAOYSA-N
MW258.36 g/mol
LogP2.99
Rot. Bonds2

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

2-(2,3-dihydro-1H-indol-3-yl)-1-(2-methylpiperidin-1-yl)ethanone (PubChem CID 80573934) has the molecular formula C16H22N2O and a molecular weight of 258.36 g/mol. Its IUPAC name is 2-(2,3-dihydro-1H-indol-3-yl)-1-(2-methylpiperidin-1-yl)ethanone.

Molecular Properties

Compound Name2-(2,3-dihydro-1H-indol-3-yl)-1-(2-methylpiperidin-1-yl)ethanone
PubChem CID80573934
Molecular FormulaC16H22N2O
Molecular Weight258.36 g/mol
Exact Mass258.17
IUPAC Name2-(2,3-dihydro-1H-indol-3-yl)-1-(2-methylpiperidin-1-yl)ethanone
SMILESCC1CCCCN1C(=O)CC1CNc2ccccc21
InChIInChI=1S/C16H22N2O/c1-12-6-4-5-9-18(12)16(19)10-13-11-17-15-8-3-2-7-14(13)15/h2-3,7-8,12-13,17H,4-6,9-11H2,1H3
InChIKeyAJIHVTZXDJQDIU-UHFFFAOYSA-N
XLogP2.99
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.36
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2,3-dihydro-1H-indol-3-yl)-1-(2-ethylpiperidin-1-yl)ethanone
CID 80573876
2-(2,3-dihydro-1H-indol-3-yl)-1-(2,5-dimethylpiperidin-1-yl)ethanone
CID 80573410
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-methylmorpholin-4-yl)ethanone
CID 80573193
3-[(2-methylazepan-1-yl)methyl]-2,3-dihydro-1H-indole
CID 80566561
1-(1,4-diazepan-1-yl)-2-(2,3-dihydro-1H-indol-3-yl)ethanone
CID 80573143
2-(2,3-dihydro-1H-indol-3-yl)-N-[(1-methylpiperidin-2-yl)methyl]acetamide
CID 80572564
2-(2,3-dihydro-1H-indol-3-yl)-1-(3-hydroxyazetidin-1-yl)ethanone
CID 107217538
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
N-cyclohexyl-2-(2,3-dihydro-1H-indol-3-yl)acetamide
CID 80573809
2-(2-fluorophenyl)-1-(2-methylpiperidin-1-yl)ethanone
CID 127119816

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dihydro-1H-indol-3-yl)-1-(2-methylpiperidin-1-yl)ethanone?
The IUPAC name of 2-(2,3-dihydro-1H-indol-3-yl)-1-(2-methylpiperidin-1-yl)ethanone (CID 80573934) is 2-(2,3-dihydro-1H-indol-3-yl)-1-(2-methylpiperidin-1-yl)ethanone.
What is the SMILES notation for 2-(2,3-dihydro-1H-indol-3-yl)-1-(2-methylpiperidin-1-yl)ethanone?
The canonical SMILES for 2-(2,3-dihydro-1H-indol-3-yl)-1-(2-methylpiperidin-1-yl)ethanone is CC1CCCCN1C(=O)CC1CNc2ccccc21.
What is the InChIKey of 2-(2,3-dihydro-1H-indol-3-yl)-1-(2-methylpiperidin-1-yl)ethanone?
The InChIKey is AJIHVTZXDJQDIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O/c1-12-6-4-5-9-18(12)16(19)10-13-11-17-15-8-3-2-7-14(13)15/h2-3,7-8,12-13,17H,4-6,9-11H2,1H3.
What are the key properties of 2-(2,3-dihydro-1H-indol-3-yl)-1-(2-methylpiperidin-1-yl)ethanone?
2-(2,3-dihydro-1H-indol-3-yl)-1-(2-methylpiperidin-1-yl)ethanone has a molecular weight of 258.36 g/mol, XLogP of 2.99, 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-methylpiperidin-1-yl)ethanone is sourced from PubChem (CID 80573934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).