1-(2,3-dihydroindol-1-yl)-2-(4-methylpiperidin-1-yl)ethanone

C16H22N2O — CID 2147973

IUPAC1-(2,3-dihydroindol-1-yl)-2-(4-methylpiperidin-1-yl)ethanone
SMILESCC1CCN(CC(=O)N2CCc3ccccc32)CC1
InChIInChI=1S/C16H22N2O/c1-13-6-9-17(10-7-13)12-16(19)18-11-8-14-4-2-3-5-15(14)18/h2-5,13H,6-12H2,1H3
InChIKeyGNEZAJMDQFYNJK-UHFFFAOYSA-N
MW258.37 g/mol
LogP2.31
Rot. Bonds2

About 1-(2,3-dihydroindol-1-yl)-2-(4-methylpiperidin-1-yl)ethanone

1-(2,3-dihydroindol-1-yl)-2-(4-methylpiperidin-1-yl)ethanone (PubChem CID 2147973) has the molecular formula C16H22N2O and a molecular weight of 258.37 g/mol. Its IUPAC name is 1-(2,3-dihydroindol-1-yl)-2-(4-methylpiperidin-1-yl)ethanone.

Molecular Properties

Compound Name1-(2,3-dihydroindol-1-yl)-2-(4-methylpiperidin-1-yl)ethanone
PubChem CID2147973
Molecular FormulaC16H22N2O
Molecular Weight258.37 g/mol
Exact Mass258.17
IUPAC Name1-(2,3-dihydroindol-1-yl)-2-(4-methylpiperidin-1-yl)ethanone
SMILESCC1CCN(CC(=O)N2CCc3ccccc32)CC1
InChIInChI=1S/C16H22N2O/c1-13-6-9-17(10-7-13)12-16(19)18-11-8-14-4-2-3-5-15(14)18/h2-5,13H,6-12H2,1H3
InChIKeyGNEZAJMDQFYNJK-UHFFFAOYSA-N
XLogP2.31
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.37
LogP ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydroindol-1-yl)-2-(4-methylpiperidin-1-yl)ethanone?
The IUPAC name of 1-(2,3-dihydroindol-1-yl)-2-(4-methylpiperidin-1-yl)ethanone (CID 2147973) is 1-(2,3-dihydroindol-1-yl)-2-(4-methylpiperidin-1-yl)ethanone.
What is the SMILES notation for 1-(2,3-dihydroindol-1-yl)-2-(4-methylpiperidin-1-yl)ethanone?
The canonical SMILES for 1-(2,3-dihydroindol-1-yl)-2-(4-methylpiperidin-1-yl)ethanone is CC1CCN(CC(=O)N2CCc3ccccc32)CC1.
What is the InChIKey of 1-(2,3-dihydroindol-1-yl)-2-(4-methylpiperidin-1-yl)ethanone?
The InChIKey is GNEZAJMDQFYNJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O/c1-13-6-9-17(10-7-13)12-16(19)18-11-8-14-4-2-3-5-15(14)18/h2-5,13H,6-12H2,1H3.
What are the key properties of 1-(2,3-dihydroindol-1-yl)-2-(4-methylpiperidin-1-yl)ethanone?
1-(2,3-dihydroindol-1-yl)-2-(4-methylpiperidin-1-yl)ethanone has a molecular weight of 258.37 g/mol, XLogP of 2.31, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydroindol-1-yl)-2-(4-methylpiperidin-1-yl)ethanone is sourced from PubChem (CID 2147973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).