ethane;1H-indol-6-yl-[4-[[4-(trifluoromethyl)-3-pyridinyl]oxy]piperidin-1-yl]methanone

C22H24F3N3O2 — CID 166104335

IUPACethane;1H-indol-6-yl-[4-[[4-(trifluoromethyl)-3-pyridinyl]oxy]piperidin-1-yl]methanone
SMILESCC.O=C(c1ccc2cc[nH]c2c1)N1CCC(Oc2cnccc2C(F)(F)F)CC1
InChIInChI=1S/C20H18F3N3O2.C2H6/c21-20(22,23)16-4-7-24-12-18(16)28-15-5-9-26(10-6-15)19(27)14-2-1-13-3-8-25-17(13)11-14;1-2/h1-4,7-8,11-12,15,25H,5-6,9-10H2;1-2H3
InChIKeyFBYKKSYWQGAQRT-UHFFFAOYSA-N
MW419.45 g/mol
LogP5.29
Rot. Bonds3

About ethane;1H-indol-6-yl-[4-[[4-(trifluoromethyl)-3-pyridinyl]oxy]piperidin-1-yl]methanone

ethane;1H-indol-6-yl-[4-[[4-(trifluoromethyl)-3-pyridinyl]oxy]piperidin-1-yl]methanone (PubChem CID 166104335) has the molecular formula C22H24F3N3O2 and a molecular weight of 419.45 g/mol. Its IUPAC name is ethane;1H-indol-6-yl-[4-[[4-(trifluoromethyl)-3-pyridinyl]oxy]piperidin-1-yl]methanone.

Molecular Properties

Compound Nameethane;1H-indol-6-yl-[4-[[4-(trifluoromethyl)-3-pyridinyl]oxy]piperidin-1-yl]methanone
PubChem CID166104335
Molecular FormulaC22H24F3N3O2
Molecular Weight419.45 g/mol
Exact Mass419.18
IUPAC Nameethane;1H-indol-6-yl-[4-[[4-(trifluoromethyl)-3-pyridinyl]oxy]piperidin-1-yl]methanone
SMILESCC.O=C(c1ccc2cc[nH]c2c1)N1CCC(Oc2cnccc2C(F)(F)F)CC1
InChIInChI=1S/C20H18F3N3O2.C2H6/c21-20(22,23)16-4-7-24-12-18(16)28-15-5-9-26(10-6-15)19(27)14-2-1-13-3-8-25-17(13)11-14;1-2/h1-4,7-8,11-12,15,25H,5-6,9-10H2;1-2H3
InChIKeyFBYKKSYWQGAQRT-UHFFFAOYSA-N
XLogP5.29
TPSA58.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500419.45
LogP ≤ 55.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethane;1H-indol-6-yl-[4-[[4-(trifluoromethyl)-3-pyridinyl]oxy]piperidin-1-yl]methanone?
The IUPAC name of ethane;1H-indol-6-yl-[4-[[4-(trifluoromethyl)-3-pyridinyl]oxy]piperidin-1-yl]methanone (CID 166104335) is ethane;1H-indol-6-yl-[4-[[4-(trifluoromethyl)-3-pyridinyl]oxy]piperidin-1-yl]methanone.
What is the SMILES notation for ethane;1H-indol-6-yl-[4-[[4-(trifluoromethyl)-3-pyridinyl]oxy]piperidin-1-yl]methanone?
The canonical SMILES for ethane;1H-indol-6-yl-[4-[[4-(trifluoromethyl)-3-pyridinyl]oxy]piperidin-1-yl]methanone is CC.O=C(c1ccc2cc[nH]c2c1)N1CCC(Oc2cnccc2C(F)(F)F)CC1.
What is the InChIKey of ethane;1H-indol-6-yl-[4-[[4-(trifluoromethyl)-3-pyridinyl]oxy]piperidin-1-yl]methanone?
The InChIKey is FBYKKSYWQGAQRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18F3N3O2.C2H6/c21-20(22,23)16-4-7-24-12-18(16)28-15-5-9-26(10-6-15)19(27)14-2-1-13-3-8-25-17(13)11-14;1-2/h1-4,7-8,11-12,15,25H,5-6,9-10H2;1-2H3.
What are the key properties of ethane;1H-indol-6-yl-[4-[[4-(trifluoromethyl)-3-pyridinyl]oxy]piperidin-1-yl]methanone?
ethane;1H-indol-6-yl-[4-[[4-(trifluoromethyl)-3-pyridinyl]oxy]piperidin-1-yl]methanone has a molecular weight of 419.45 g/mol, XLogP of 5.29, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1H-indol-6-yl-[4-[[4-(trifluoromethyl)-3-pyridinyl]oxy]piperidin-1-yl]methanone is sourced from PubChem (CID 166104335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).