[(2R,3S)-2-(4-fluorophenyl)-3-(2,2,6,6-tetramethylpiperidin-1-yl)oxy-2,3-dihydroindol-1-yl]-phenylmethanone

C30H33FN2O2 — CID 101469199

IUPAC[(2R,3S)-2-(4-fluorophenyl)-3-(2,2,6,6-tetramethylpiperidin-1-yl)oxy-2,3-dihydroindol-1-yl]-phenylmethanone
SMILESCC1(C)CCCC(C)(C)N1O[C@H]1c2ccccc2N(C(=O)c2ccccc2)[C@@H]1c1ccc(F)cc1
InChIInChI=1S/C30H33FN2O2/c1-29(2)19-10-20-30(3,4)33(29)35-27-24-13-8-9-14-25(24)32(28(34)22-11-6-5-7-12-22)26(27)21-15-17-23(31)18-16-21/h5-9,11-18,26-27H,10,19-20H2,1-4H3/t26-,27+/m1/s1
InChIKeyMZICWHKOZNOGTA-SXOMAYOGSA-N
MW472.60 g/mol
LogP7.24
Rot. Bonds4

About [(2R,3S)-2-(4-fluorophenyl)-3-(2,2,6,6-tetramethylpiperidin-1-yl)oxy-2,3-dihydroindol-1-yl]-phenylmethanone

[(2R,3S)-2-(4-fluorophenyl)-3-(2,2,6,6-tetramethylpiperidin-1-yl)oxy-2,3-dihydroindol-1-yl]-phenylmethanone (PubChem CID 101469199) has the molecular formula C30H33FN2O2 and a molecular weight of 472.60 g/mol. Its IUPAC name is [(2R,3S)-2-(4-fluorophenyl)-3-(2,2,6,6-tetramethylpiperidin-1-yl)oxy-2,3-dihydroindol-1-yl]-phenylmethanone.

Molecular Properties

Compound Name[(2R,3S)-2-(4-fluorophenyl)-3-(2,2,6,6-tetramethylpiperidin-1-yl)oxy-2,3-dihydroindol-1-yl]-phenylmethanone
PubChem CID101469199
Molecular FormulaC30H33FN2O2
Molecular Weight472.60 g/mol
Exact Mass472.25
IUPAC Name[(2R,3S)-2-(4-fluorophenyl)-3-(2,2,6,6-tetramethylpiperidin-1-yl)oxy-2,3-dihydroindol-1-yl]-phenylmethanone
SMILESCC1(C)CCCC(C)(C)N1O[C@H]1c2ccccc2N(C(=O)c2ccccc2)[C@@H]1c1ccc(F)cc1
InChIInChI=1S/C30H33FN2O2/c1-29(2)19-10-20-30(3,4)33(29)35-27-24-13-8-9-14-25(24)32(28(34)22-11-6-5-7-12-22)26(27)21-15-17-23(31)18-16-21/h5-9,11-18,26-27H,10,19-20H2,1-4H3/t26-,27+/m1/s1
InChIKeyMZICWHKOZNOGTA-SXOMAYOGSA-N
XLogP7.24
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500472.60
LogP ≤ 57.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[(2R,3S)-5-methyl-2-phenyl-3-(2,2,6,6-tetramethylpiperidin-1-yl)oxy-2,3-dihydroindol-1-yl]-phenylmethanone
CID 101469202
tert-butyl (2R,3S)-7-chloro-2-phenyl-3-(2,2,6,6-tetramethylpiperidin-1-yl)oxy-2,3-dihydroindole-1-carboxylate
CID 101469208
1-(4-fluorobenzoyl)-2-methyl-3,4-dihydro-2H-quinoline-4-carboxylic acid
CID 69401406
[(2S,4R)-4-amino-2-methyl-3,4-dihydro-2H-quinolin-1-yl]-(4-fluorophenyl)methanone
CID 68923463
1-[(2S,3R)-2-methyl-2-phenyl-3-(2,2,6,6-tetramethylpiperidin-1-yl)oxy-3H-indol-1-yl]ethanone
CID 122225516
1-(4-fluorophenyl)-2-phenoxy-2-(2,2,6,6-tetramethylpiperidin-1-yl)oxyethanone
CID 73211959
methyl (2S,3R)-2-methyl-2-phenyl-3-(2,2,6,6-tetramethylpiperidin-1-yl)oxy-3H-indole-1-carboxylate
CID 122225514
1-phenyl-2-(2,2,6,6-tetramethylpiperidin-1-yl)oxyethanone
CID 71329524
1-(4-fluorobenzoyl)-2H-quinoline-2-carboxylic acid
CID 21219139
1-phenyl-2-(2,2,6,6-tetramethylpiperidin-1-yl)oxybutane-1,3-dione
CID 12997351
(4-fluorophenyl)-(4-methoxy-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 110709472
6-(2-chlorophenyl)-9-(4-fluorophenyl)-5-(4-methoxybenzoyl)-8,9,10,11-tetrahydro-6H-benzo[b][1,4]benzodiazepin-7-one
CID 4148601

Frequently Asked Questions

What is the IUPAC name of [(2R,3S)-2-(4-fluorophenyl)-3-(2,2,6,6-tetramethylpiperidin-1-yl)oxy-2,3-dihydroindol-1-yl]-phenylmethanone?
The IUPAC name of [(2R,3S)-2-(4-fluorophenyl)-3-(2,2,6,6-tetramethylpiperidin-1-yl)oxy-2,3-dihydroindol-1-yl]-phenylmethanone (CID 101469199) is [(2R,3S)-2-(4-fluorophenyl)-3-(2,2,6,6-tetramethylpiperidin-1-yl)oxy-2,3-dihydroindol-1-yl]-phenylmethanone.
What is the SMILES notation for [(2R,3S)-2-(4-fluorophenyl)-3-(2,2,6,6-tetramethylpiperidin-1-yl)oxy-2,3-dihydroindol-1-yl]-phenylmethanone?
The canonical SMILES for [(2R,3S)-2-(4-fluorophenyl)-3-(2,2,6,6-tetramethylpiperidin-1-yl)oxy-2,3-dihydroindol-1-yl]-phenylmethanone is CC1(C)CCCC(C)(C)N1O[C@H]1c2ccccc2N(C(=O)c2ccccc2)[C@@H]1c1ccc(F)cc1.
What is the InChIKey of [(2R,3S)-2-(4-fluorophenyl)-3-(2,2,6,6-tetramethylpiperidin-1-yl)oxy-2,3-dihydroindol-1-yl]-phenylmethanone?
The InChIKey is MZICWHKOZNOGTA-SXOMAYOGSA-N. The full InChI is InChI=1S/C30H33FN2O2/c1-29(2)19-10-20-30(3,4)33(29)35-27-24-13-8-9-14-25(24)32(28(34)22-11-6-5-7-12-22)26(27)21-15-17-23(31)18-16-21/h5-9,11-18,26-27H,10,19-20H2,1-4H3/t26-,27+/m1/s1.
What are the key properties of [(2R,3S)-2-(4-fluorophenyl)-3-(2,2,6,6-tetramethylpiperidin-1-yl)oxy-2,3-dihydroindol-1-yl]-phenylmethanone?
[(2R,3S)-2-(4-fluorophenyl)-3-(2,2,6,6-tetramethylpiperidin-1-yl)oxy-2,3-dihydroindol-1-yl]-phenylmethanone has a molecular weight of 472.60 g/mol, XLogP of 7.24, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,3S)-2-(4-fluorophenyl)-3-(2,2,6,6-tetramethylpiperidin-1-yl)oxy-2,3-dihydroindol-1-yl]-phenylmethanone is sourced from PubChem (CID 101469199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).