(4-pyrrol-1-ylphenyl)-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]piperidin-1-yl]methanone

C22H20F3N3O2 — CID 71798688

IUPAC(4-pyrrol-1-ylphenyl)-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]piperidin-1-yl]methanone
SMILESO=C(c1ccc(-n2cccc2)cc1)N1CCC(Oc2ccc(C(F)(F)F)cn2)CC1
InChIInChI=1S/C22H20F3N3O2/c23-22(24,25)17-5-8-20(26-15-17)30-19-9-13-28(14-10-19)21(29)16-3-6-18(7-4-16)27-11-1-2-12-27/h1-8,11-12,15,19H,9-10,13-14H2
InChIKeyBFWDLSVRIYWFHV-UHFFFAOYSA-N
MW415.42 g/mol
LogP4.57
Rot. Bonds4

About (4-pyrrol-1-ylphenyl)-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]piperidin-1-yl]methanone

(4-pyrrol-1-ylphenyl)-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]piperidin-1-yl]methanone (PubChem CID 71798688) has the molecular formula C22H20F3N3O2 and a molecular weight of 415.42 g/mol. Its IUPAC name is (4-pyrrol-1-ylphenyl)-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]piperidin-1-yl]methanone.

Molecular Properties

Compound Name(4-pyrrol-1-ylphenyl)-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]piperidin-1-yl]methanone
PubChem CID71798688
Molecular FormulaC22H20F3N3O2
Molecular Weight415.42 g/mol
Exact Mass415.15
IUPAC Name(4-pyrrol-1-ylphenyl)-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]piperidin-1-yl]methanone
SMILESO=C(c1ccc(-n2cccc2)cc1)N1CCC(Oc2ccc(C(F)(F)F)cn2)CC1
InChIInChI=1S/C22H20F3N3O2/c23-22(24,25)17-5-8-20(26-15-17)30-19-9-13-28(14-10-19)21(29)16-3-6-18(7-4-16)27-11-1-2-12-27/h1-8,11-12,15,19H,9-10,13-14H2
InChIKeyBFWDLSVRIYWFHV-UHFFFAOYSA-N
XLogP4.57
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.42
LogP ≤ 54.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (4-pyrrol-1-ylphenyl)-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]piperidin-1-yl]methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (4-pyrrol-1-ylphenyl)-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]piperidin-1-yl]methanone?
The IUPAC name of (4-pyrrol-1-ylphenyl)-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]piperidin-1-yl]methanone (CID 71798688) is (4-pyrrol-1-ylphenyl)-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]piperidin-1-yl]methanone.
What is the SMILES notation for (4-pyrrol-1-ylphenyl)-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]piperidin-1-yl]methanone?
The canonical SMILES for (4-pyrrol-1-ylphenyl)-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]piperidin-1-yl]methanone is O=C(c1ccc(-n2cccc2)cc1)N1CCC(Oc2ccc(C(F)(F)F)cn2)CC1.
What is the InChIKey of (4-pyrrol-1-ylphenyl)-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]piperidin-1-yl]methanone?
The InChIKey is BFWDLSVRIYWFHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20F3N3O2/c23-22(24,25)17-5-8-20(26-15-17)30-19-9-13-28(14-10-19)21(29)16-3-6-18(7-4-16)27-11-1-2-12-27/h1-8,11-12,15,19H,9-10,13-14H2.
What are the key properties of (4-pyrrol-1-ylphenyl)-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]piperidin-1-yl]methanone?
(4-pyrrol-1-ylphenyl)-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]piperidin-1-yl]methanone has a molecular weight of 415.42 g/mol, XLogP of 4.57, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-pyrrol-1-ylphenyl)-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]piperidin-1-yl]methanone is sourced from PubChem (CID 71798688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).