1-(2,3-dihydroindol-1-yl)-2-[4-(4-fluorophenyl)-4-hydroxypiperidin-1-yl]ethanone

C21H23FN2O2 — CID 91833895

IUPAC1-(2,3-dihydroindol-1-yl)-2-[4-(4-fluorophenyl)-4-hydroxypiperidin-1-yl]ethanone
SMILESO=C(CN1CCC(O)(c2ccc(F)cc2)CC1)N1CCc2ccccc21
InChIInChI=1S/C21H23FN2O2/c22-18-7-5-17(6-8-18)21(26)10-13-23(14-11-21)15-20(25)24-12-9-16-3-1-2-4-19(16)24/h1-8,26H,9-15H2
InChIKeyMUAVCTYUCDBDEN-UHFFFAOYSA-N
MW354.43 g/mol
LogP2.70
Rot. Bonds3

About 1-(2,3-dihydroindol-1-yl)-2-[4-(4-fluorophenyl)-4-hydroxypiperidin-1-yl]ethanone

1-(2,3-dihydroindol-1-yl)-2-[4-(4-fluorophenyl)-4-hydroxypiperidin-1-yl]ethanone (PubChem CID 91833895) has the molecular formula C21H23FN2O2 and a molecular weight of 354.43 g/mol. Its IUPAC name is 1-(2,3-dihydroindol-1-yl)-2-[4-(4-fluorophenyl)-4-hydroxypiperidin-1-yl]ethanone.

Molecular Properties

Compound Name1-(2,3-dihydroindol-1-yl)-2-[4-(4-fluorophenyl)-4-hydroxypiperidin-1-yl]ethanone
PubChem CID91833895
Molecular FormulaC21H23FN2O2
Molecular Weight354.43 g/mol
Exact Mass354.17
IUPAC Name1-(2,3-dihydroindol-1-yl)-2-[4-(4-fluorophenyl)-4-hydroxypiperidin-1-yl]ethanone
SMILESO=C(CN1CCC(O)(c2ccc(F)cc2)CC1)N1CCc2ccccc21
InChIInChI=1S/C21H23FN2O2/c22-18-7-5-17(6-8-18)21(26)10-13-23(14-11-21)15-20(25)24-12-9-16-3-1-2-4-19(16)24/h1-8,26H,9-15H2
InChIKeyMUAVCTYUCDBDEN-UHFFFAOYSA-N
XLogP2.70
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.43
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]piperazin-1-yl]-N-(4-fluorophenyl)acetamide
CID 8719141
(5R)-9-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-3-(4-fluorophenyl)-1-oxa-3,9-diazaspiro[4.6]undecan-2-one
CID 124975758
1-[4-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]piperazin-1-yl]-3-(4-fluorophenyl)butan-1-one
CID 55960141
3-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-5-ethyl-5-(4-fluorophenyl)imidazolidine-2,4-dione
CID 4804767
N-[1-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]piperidin-4-yl]-4-fluorobenzenesulfonamide
CID 37218502
1-(3,4-dihydro-2H-quinolin-1-yl)-2-(3-hydroxy-3-methylpyrrolidin-1-yl)ethanone
CID 103728544
1-(2,3-dihydroindol-1-yl)-2-(3,6-dihydro-2H-pyridin-1-yl)ethanone
CID 171326862
1-(2,3-dihydroindol-1-yl)-2-(3-hydroxyazetidin-1-yl)ethanone
CID 63282171
1-(2,3-dihydroindol-1-yl)-3-[4-(4-fluorophenyl)piperazin-1-yl]propan-1-one
CID 51302576
1-(2,3-dihydroindol-1-yl)-2-(4-fluorophenoxy)ethanone
CID 828891
1-(3,4-dihydro-2H-quinolin-1-yl)-2-(4-methylpiperazin-1-yl)ethanone
CID 858988
(5S)-7-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-3-methyl-1-oxa-3,7-diazaspiro[4.4]nonan-2-one
CID 95722710

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydroindol-1-yl)-2-[4-(4-fluorophenyl)-4-hydroxypiperidin-1-yl]ethanone?
The IUPAC name of 1-(2,3-dihydroindol-1-yl)-2-[4-(4-fluorophenyl)-4-hydroxypiperidin-1-yl]ethanone (CID 91833895) is 1-(2,3-dihydroindol-1-yl)-2-[4-(4-fluorophenyl)-4-hydroxypiperidin-1-yl]ethanone.
What is the SMILES notation for 1-(2,3-dihydroindol-1-yl)-2-[4-(4-fluorophenyl)-4-hydroxypiperidin-1-yl]ethanone?
The canonical SMILES for 1-(2,3-dihydroindol-1-yl)-2-[4-(4-fluorophenyl)-4-hydroxypiperidin-1-yl]ethanone is O=C(CN1CCC(O)(c2ccc(F)cc2)CC1)N1CCc2ccccc21.
What is the InChIKey of 1-(2,3-dihydroindol-1-yl)-2-[4-(4-fluorophenyl)-4-hydroxypiperidin-1-yl]ethanone?
The InChIKey is MUAVCTYUCDBDEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23FN2O2/c22-18-7-5-17(6-8-18)21(26)10-13-23(14-11-21)15-20(25)24-12-9-16-3-1-2-4-19(16)24/h1-8,26H,9-15H2.
What are the key properties of 1-(2,3-dihydroindol-1-yl)-2-[4-(4-fluorophenyl)-4-hydroxypiperidin-1-yl]ethanone?
1-(2,3-dihydroindol-1-yl)-2-[4-(4-fluorophenyl)-4-hydroxypiperidin-1-yl]ethanone has a molecular weight of 354.43 g/mol, XLogP of 2.70, 3 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-[4-(4-fluorophenyl)-4-hydroxypiperidin-1-yl]ethanone is sourced from PubChem (CID 91833895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).