1-(2,3-dihydroindol-1-yl)-2-[(2S,6S)-4-hydroxy-2,6-dimethylpiperidin-1-yl]ethanone

C17H24N2O2 — CID 99778930

IUPAC1-(2,3-dihydroindol-1-yl)-2-[(2S,6S)-4-hydroxy-2,6-dimethylpiperidin-1-yl]ethanone
SMILESC[C@H]1CC(O)C[C@H](C)N1CC(=O)N1CCc2ccccc21
InChIInChI=1S/C17H24N2O2/c1-12-9-15(20)10-13(2)19(12)11-17(21)18-8-7-14-5-3-4-6-16(14)18/h3-6,12-13,15,20H,7-11H2,1-2H3/t12-,13-/m0/s1
InChIKeyMUGBIEALRHYHGA-STQMWFEESA-N
MW288.39 g/mol
LogP1.81
Rot. Bonds2

About 1-(2,3-dihydroindol-1-yl)-2-[(2S,6S)-4-hydroxy-2,6-dimethylpiperidin-1-yl]ethanone

1-(2,3-dihydroindol-1-yl)-2-[(2S,6S)-4-hydroxy-2,6-dimethylpiperidin-1-yl]ethanone (PubChem CID 99778930) has the molecular formula C17H24N2O2 and a molecular weight of 288.39 g/mol. Its IUPAC name is 1-(2,3-dihydroindol-1-yl)-2-[(2S,6S)-4-hydroxy-2,6-dimethylpiperidin-1-yl]ethanone.

Molecular Properties

Compound Name1-(2,3-dihydroindol-1-yl)-2-[(2S,6S)-4-hydroxy-2,6-dimethylpiperidin-1-yl]ethanone
PubChem CID99778930
Molecular FormulaC17H24N2O2
Molecular Weight288.39 g/mol
Exact Mass288.18
IUPAC Name1-(2,3-dihydroindol-1-yl)-2-[(2S,6S)-4-hydroxy-2,6-dimethylpiperidin-1-yl]ethanone
SMILESC[C@H]1CC(O)C[C@H](C)N1CC(=O)N1CCc2ccccc21
InChIInChI=1S/C17H24N2O2/c1-12-9-15(20)10-13(2)19(12)11-17(21)18-8-7-14-5-3-4-6-16(14)18/h3-6,12-13,15,20H,7-11H2,1-2H3/t12-,13-/m0/s1
InChIKeyMUGBIEALRHYHGA-STQMWFEESA-N
XLogP1.81
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(2,3-dihydroindol-1-yl)-2-[(2S,6S)-4-hydroxy-2,6-dimethylpiperidin-1-yl]ethanone with MolForge

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Related Compounds

1-(2,3-dihydroindol-1-yl)-2-[(2S,6R)-4-hydroxy-2,6-dimethylpiperidin-1-yl]ethanone
CID 99778929
1-(2,3-dihydroindol-1-yl)-2-(3-hydroxyazetidin-1-yl)ethanone
CID 63282171
2-[4-(aminomethyl)-2-methylpyrrolidin-1-yl]-1-(2,3-dihydroindol-1-yl)ethanone
CID 115486415
1-(2,3-dihydroindol-1-yl)-2-(2,6-dimethylmorpholin-4-yl)ethanone
CID 78790849
1,4-bis(2,3-dihydroindol-1-yl)butane-1,4-dione
CID 741114
1-(2,3-dihydroindol-1-yl)-2-pyrrol-1-ylethanone
CID 3245732
2-(4-cyclopropyl-2-methylpiperazin-1-yl)-1-(2,3-dihydroindol-1-yl)ethanone
CID 162628448
1-(2,3-dihydroindol-1-yl)-2-[4-(3-methylcyclobutanecarbonyl)piperazin-1-yl]ethanone
CID 75361771
2-(diethylamino)-1-(2,3-dihydroindol-1-yl)ethanone
CID 3028969
1,6-bis(2,3-dihydroindol-1-yl)hexane-1,6-dione
CID 3096475
2-[[(3R,4R)-1-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-4-hydroxypyrrolidin-3-yl]-methylamino]acetic acid
CID 129346396
2-[[(3S,4R)-1-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-4-hydroxypyrrolidin-3-yl]-methylamino]acetic acid
CID 129346397

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydroindol-1-yl)-2-[(2S,6S)-4-hydroxy-2,6-dimethylpiperidin-1-yl]ethanone?
The IUPAC name of 1-(2,3-dihydroindol-1-yl)-2-[(2S,6S)-4-hydroxy-2,6-dimethylpiperidin-1-yl]ethanone (CID 99778930) is 1-(2,3-dihydroindol-1-yl)-2-[(2S,6S)-4-hydroxy-2,6-dimethylpiperidin-1-yl]ethanone.
What is the SMILES notation for 1-(2,3-dihydroindol-1-yl)-2-[(2S,6S)-4-hydroxy-2,6-dimethylpiperidin-1-yl]ethanone?
The canonical SMILES for 1-(2,3-dihydroindol-1-yl)-2-[(2S,6S)-4-hydroxy-2,6-dimethylpiperidin-1-yl]ethanone is C[C@H]1CC(O)C[C@H](C)N1CC(=O)N1CCc2ccccc21.
What is the InChIKey of 1-(2,3-dihydroindol-1-yl)-2-[(2S,6S)-4-hydroxy-2,6-dimethylpiperidin-1-yl]ethanone?
The InChIKey is MUGBIEALRHYHGA-STQMWFEESA-N. The full InChI is InChI=1S/C17H24N2O2/c1-12-9-15(20)10-13(2)19(12)11-17(21)18-8-7-14-5-3-4-6-16(14)18/h3-6,12-13,15,20H,7-11H2,1-2H3/t12-,13-/m0/s1.
What are the key properties of 1-(2,3-dihydroindol-1-yl)-2-[(2S,6S)-4-hydroxy-2,6-dimethylpiperidin-1-yl]ethanone?
1-(2,3-dihydroindol-1-yl)-2-[(2S,6S)-4-hydroxy-2,6-dimethylpiperidin-1-yl]ethanone has a molecular weight of 288.39 g/mol, XLogP of 1.81, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydroindol-1-yl)-2-[(2S,6S)-4-hydroxy-2,6-dimethylpiperidin-1-yl]ethanone is sourced from PubChem (CID 99778930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).