1-[5-[2-[4-(2-fluorophenyl)-4-hydroxypiperidin-1-yl]-1-hydroxyethyl]-2-methyl-2,3-dihydroindol-1-yl]ethanone

C24H29FN2O3 — CID 16676716

IUPAC1-[5-[2-[4-(2-fluorophenyl)-4-hydroxypiperidin-1-yl]-1-hydroxyethyl]-2-methyl-2,3-dihydroindol-1-yl]ethanone
SMILESCC(=O)N1c2ccc(C(O)CN3CCC(O)(c4ccccc4F)CC3)cc2CC1C
InChIInChI=1S/C24H29FN2O3/c1-16-13-19-14-18(7-8-22(19)27(16)17(2)28)23(29)15-26-11-9-24(30,10-12-26)20-5-3-4-6-21(20)25/h3-8,14,16,23,29-30H,9-13,15H2,1-2H3
InChIKeyZGOICTZVXJJBKG-UHFFFAOYSA-N
MW412.51 g/mol
LogP3.14
Rot. Bonds4

About 1-[5-[2-[4-(2-fluorophenyl)-4-hydroxypiperidin-1-yl]-1-hydroxyethyl]-2-methyl-2,3-dihydroindol-1-yl]ethanone

1-[5-[2-[4-(2-fluorophenyl)-4-hydroxypiperidin-1-yl]-1-hydroxyethyl]-2-methyl-2,3-dihydroindol-1-yl]ethanone (PubChem CID 16676716) has the molecular formula C24H29FN2O3 and a molecular weight of 412.51 g/mol. Its IUPAC name is 1-[5-[2-[4-(2-fluorophenyl)-4-hydroxypiperidin-1-yl]-1-hydroxyethyl]-2-methyl-2,3-dihydroindol-1-yl]ethanone.

Molecular Properties

Compound Name1-[5-[2-[4-(2-fluorophenyl)-4-hydroxypiperidin-1-yl]-1-hydroxyethyl]-2-methyl-2,3-dihydroindol-1-yl]ethanone
PubChem CID16676716
Molecular FormulaC24H29FN2O3
Molecular Weight412.51 g/mol
Exact Mass412.22
IUPAC Name1-[5-[2-[4-(2-fluorophenyl)-4-hydroxypiperidin-1-yl]-1-hydroxyethyl]-2-methyl-2,3-dihydroindol-1-yl]ethanone
SMILESCC(=O)N1c2ccc(C(O)CN3CCC(O)(c4ccccc4F)CC3)cc2CC1C
InChIInChI=1S/C24H29FN2O3/c1-16-13-19-14-18(7-8-22(19)27(16)17(2)28)23(29)15-26-11-9-24(30,10-12-26)20-5-3-4-6-21(20)25/h3-8,14,16,23,29-30H,9-13,15H2,1-2H3
InChIKeyZGOICTZVXJJBKG-UHFFFAOYSA-N
XLogP3.14
TPSA64.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.51
LogP ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[5-[2-[4-(2-fluorophenyl)-4-hydroxypiperidin-1-yl]-1-hydroxyethyl]-2-methyl-2,3-dihydroindol-1-yl]ethanone?
The IUPAC name of 1-[5-[2-[4-(2-fluorophenyl)-4-hydroxypiperidin-1-yl]-1-hydroxyethyl]-2-methyl-2,3-dihydroindol-1-yl]ethanone (CID 16676716) is 1-[5-[2-[4-(2-fluorophenyl)-4-hydroxypiperidin-1-yl]-1-hydroxyethyl]-2-methyl-2,3-dihydroindol-1-yl]ethanone.
What is the SMILES notation for 1-[5-[2-[4-(2-fluorophenyl)-4-hydroxypiperidin-1-yl]-1-hydroxyethyl]-2-methyl-2,3-dihydroindol-1-yl]ethanone?
The canonical SMILES for 1-[5-[2-[4-(2-fluorophenyl)-4-hydroxypiperidin-1-yl]-1-hydroxyethyl]-2-methyl-2,3-dihydroindol-1-yl]ethanone is CC(=O)N1c2ccc(C(O)CN3CCC(O)(c4ccccc4F)CC3)cc2CC1C.
What is the InChIKey of 1-[5-[2-[4-(2-fluorophenyl)-4-hydroxypiperidin-1-yl]-1-hydroxyethyl]-2-methyl-2,3-dihydroindol-1-yl]ethanone?
The InChIKey is ZGOICTZVXJJBKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29FN2O3/c1-16-13-19-14-18(7-8-22(19)27(16)17(2)28)23(29)15-26-11-9-24(30,10-12-26)20-5-3-4-6-21(20)25/h3-8,14,16,23,29-30H,9-13,15H2,1-2H3.
What are the key properties of 1-[5-[2-[4-(2-fluorophenyl)-4-hydroxypiperidin-1-yl]-1-hydroxyethyl]-2-methyl-2,3-dihydroindol-1-yl]ethanone?
1-[5-[2-[4-(2-fluorophenyl)-4-hydroxypiperidin-1-yl]-1-hydroxyethyl]-2-methyl-2,3-dihydroindol-1-yl]ethanone has a molecular weight of 412.51 g/mol, XLogP of 3.14, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[2-[4-(2-fluorophenyl)-4-hydroxypiperidin-1-yl]-1-hydroxyethyl]-2-methyl-2,3-dihydroindol-1-yl]ethanone is sourced from PubChem (CID 16676716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).