3-hydroxy-3-(3-methylpiperidin-1-yl)-7-(trifluoromethyl)-1H-indol-2-one

C15H17F3N2O2 — CID 22332436

IUPAC3-hydroxy-3-(3-methylpiperidin-1-yl)-7-(trifluoromethyl)-1H-indol-2-one
SMILESCC1CCCN(C2(O)C(=O)Nc3c(C(F)(F)F)cccc32)C1
InChIInChI=1S/C15H17F3N2O2/c1-9-4-3-7-20(8-9)14(22)10-5-2-6-11(15(16,17)18)12(10)19-13(14)21/h2,5-6,9,22H,3-4,7-8H2,1H3,(H,19,21)
InChIKeyMIFHKOHVBCPEAO-UHFFFAOYSA-N
MW314.31 g/mol
LogP2.53
Rot. Bonds1

About 3-hydroxy-3-(3-methylpiperidin-1-yl)-7-(trifluoromethyl)-1H-indol-2-one

3-hydroxy-3-(3-methylpiperidin-1-yl)-7-(trifluoromethyl)-1H-indol-2-one (PubChem CID 22332436) has the molecular formula C15H17F3N2O2 and a molecular weight of 314.31 g/mol. Its IUPAC name is 3-hydroxy-3-(3-methylpiperidin-1-yl)-7-(trifluoromethyl)-1H-indol-2-one.

Molecular Properties

Compound Name3-hydroxy-3-(3-methylpiperidin-1-yl)-7-(trifluoromethyl)-1H-indol-2-one
PubChem CID22332436
Molecular FormulaC15H17F3N2O2
Molecular Weight314.31 g/mol
Exact Mass314.12
IUPAC Name3-hydroxy-3-(3-methylpiperidin-1-yl)-7-(trifluoromethyl)-1H-indol-2-one
SMILESCC1CCCN(C2(O)C(=O)Nc3c(C(F)(F)F)cccc32)C1
InChIInChI=1S/C15H17F3N2O2/c1-9-4-3-7-20(8-9)14(22)10-5-2-6-11(15(16,17)18)12(10)19-13(14)21/h2,5-6,9,22H,3-4,7-8H2,1H3,(H,19,21)
InChIKeyMIFHKOHVBCPEAO-UHFFFAOYSA-N
XLogP2.53
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.31
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-3-(3-methylpiperidin-1-yl)-7-(trifluoromethyl)-1H-indol-2-one?
The IUPAC name of 3-hydroxy-3-(3-methylpiperidin-1-yl)-7-(trifluoromethyl)-1H-indol-2-one (CID 22332436) is 3-hydroxy-3-(3-methylpiperidin-1-yl)-7-(trifluoromethyl)-1H-indol-2-one.
What is the SMILES notation for 3-hydroxy-3-(3-methylpiperidin-1-yl)-7-(trifluoromethyl)-1H-indol-2-one?
The canonical SMILES for 3-hydroxy-3-(3-methylpiperidin-1-yl)-7-(trifluoromethyl)-1H-indol-2-one is CC1CCCN(C2(O)C(=O)Nc3c(C(F)(F)F)cccc32)C1.
What is the InChIKey of 3-hydroxy-3-(3-methylpiperidin-1-yl)-7-(trifluoromethyl)-1H-indol-2-one?
The InChIKey is MIFHKOHVBCPEAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17F3N2O2/c1-9-4-3-7-20(8-9)14(22)10-5-2-6-11(15(16,17)18)12(10)19-13(14)21/h2,5-6,9,22H,3-4,7-8H2,1H3,(H,19,21).
What are the key properties of 3-hydroxy-3-(3-methylpiperidin-1-yl)-7-(trifluoromethyl)-1H-indol-2-one?
3-hydroxy-3-(3-methylpiperidin-1-yl)-7-(trifluoromethyl)-1H-indol-2-one has a molecular weight of 314.31 g/mol, XLogP of 2.53, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-3-(3-methylpiperidin-1-yl)-7-(trifluoromethyl)-1H-indol-2-one is sourced from PubChem (CID 22332436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).