2-indol-1-yl-1-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]piperidin-1-yl]ethanone

C21H20F3N3O2 — CID 71798689

IUPAC2-indol-1-yl-1-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]piperidin-1-yl]ethanone
SMILESO=C(Cn1ccc2ccccc21)N1CCC(Oc2ccc(C(F)(F)F)cn2)CC1
InChIInChI=1S/C21H20F3N3O2/c22-21(23,24)16-5-6-19(25-13-16)29-17-8-11-26(12-9-17)20(28)14-27-10-7-15-3-1-2-4-18(15)27/h1-7,10,13,17H,8-9,11-12,14H2
InChIKeyVZSPDSNHSCNMTK-UHFFFAOYSA-N
MW403.40 g/mol
LogP4.13
Rot. Bonds4

About 2-indol-1-yl-1-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]piperidin-1-yl]ethanone

2-indol-1-yl-1-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]piperidin-1-yl]ethanone (PubChem CID 71798689) has the molecular formula C21H20F3N3O2 and a molecular weight of 403.40 g/mol. Its IUPAC name is 2-indol-1-yl-1-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]piperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-indol-1-yl-1-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]piperidin-1-yl]ethanone
PubChem CID71798689
Molecular FormulaC21H20F3N3O2
Molecular Weight403.40 g/mol
Exact Mass403.15
IUPAC Name2-indol-1-yl-1-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]piperidin-1-yl]ethanone
SMILESO=C(Cn1ccc2ccccc21)N1CCC(Oc2ccc(C(F)(F)F)cn2)CC1
InChIInChI=1S/C21H20F3N3O2/c22-21(23,24)16-5-6-19(25-13-16)29-17-8-11-26(12-9-17)20(28)14-27-10-7-15-3-1-2-4-18(15)27/h1-7,10,13,17H,8-9,11-12,14H2
InChIKeyVZSPDSNHSCNMTK-UHFFFAOYSA-N
XLogP4.13
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.40
LogP ≤ 54.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-indol-1-yl-1-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]piperidin-1-yl]ethanone?
The IUPAC name of 2-indol-1-yl-1-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]piperidin-1-yl]ethanone (CID 71798689) is 2-indol-1-yl-1-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]piperidin-1-yl]ethanone.
What is the SMILES notation for 2-indol-1-yl-1-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]piperidin-1-yl]ethanone?
The canonical SMILES for 2-indol-1-yl-1-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]piperidin-1-yl]ethanone is O=C(Cn1ccc2ccccc21)N1CCC(Oc2ccc(C(F)(F)F)cn2)CC1.
What is the InChIKey of 2-indol-1-yl-1-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]piperidin-1-yl]ethanone?
The InChIKey is VZSPDSNHSCNMTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20F3N3O2/c22-21(23,24)16-5-6-19(25-13-16)29-17-8-11-26(12-9-17)20(28)14-27-10-7-15-3-1-2-4-18(15)27/h1-7,10,13,17H,8-9,11-12,14H2.
What are the key properties of 2-indol-1-yl-1-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]piperidin-1-yl]ethanone?
2-indol-1-yl-1-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]piperidin-1-yl]ethanone has a molecular weight of 403.40 g/mol, XLogP of 4.13, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-indol-1-yl-1-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]piperidin-1-yl]ethanone is sourced from PubChem (CID 71798689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).