(2R)-2-phenoxy-1-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]piperidin-1-yl]propan-1-one

C20H21F3N2O3 — CID 97104981

IUPAC(2R)-2-phenoxy-1-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]piperidin-1-yl]propan-1-one
SMILESC[C@@H](Oc1ccccc1)C(=O)N1CCC(Oc2ccc(C(F)(F)F)cn2)CC1
InChIInChI=1S/C20H21F3N2O3/c1-14(27-16-5-3-2-4-6-16)19(26)25-11-9-17(10-12-25)28-18-8-7-15(13-24-18)20(21,22)23/h2-8,13-14,17H,9-12H2,1H3/t14-/m1/s1
InChIKeyUVYDRFYVDKKZDJ-CQSZACIVSA-N
MW394.39 g/mol
LogP3.94
Rot. Bonds5

About (2R)-2-phenoxy-1-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]piperidin-1-yl]propan-1-one

(2R)-2-phenoxy-1-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]piperidin-1-yl]propan-1-one (PubChem CID 97104981) has the molecular formula C20H21F3N2O3 and a molecular weight of 394.39 g/mol. Its IUPAC name is (2R)-2-phenoxy-1-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]piperidin-1-yl]propan-1-one.

Molecular Properties

Compound Name(2R)-2-phenoxy-1-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]piperidin-1-yl]propan-1-one
PubChem CID97104981
Molecular FormulaC20H21F3N2O3
Molecular Weight394.39 g/mol
Exact Mass394.15
IUPAC Name(2R)-2-phenoxy-1-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]piperidin-1-yl]propan-1-one
SMILESC[C@@H](Oc1ccccc1)C(=O)N1CCC(Oc2ccc(C(F)(F)F)cn2)CC1
InChIInChI=1S/C20H21F3N2O3/c1-14(27-16-5-3-2-4-6-16)19(26)25-11-9-17(10-12-25)28-18-8-7-15(13-24-18)20(21,22)23/h2-8,13-14,17H,9-12H2,1H3/t14-/m1/s1
InChIKeyUVYDRFYVDKKZDJ-CQSZACIVSA-N
XLogP3.94
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.39
LogP ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (2R)-2-phenoxy-1-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]piperidin-1-yl]propan-1-one with MolForge

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Related Compounds

2-phenoxy-1-(4-pyridin-2-yloxypiperidin-1-yl)propan-1-one
CID 71798614
1-[4-(2-methoxypyrimidin-4-yl)oxypiperidin-1-yl]-2-phenoxypropan-1-one
CID 121161322
[(2S,3R)-2-methyl-2,3-dihydro-1,4-benzodioxin-3-yl]-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]piperidin-1-yl]methanone
CID 97104983
(2S)-1-[(3S)-3-(6-methylpyridazin-3-yl)oxypyrrolidin-1-yl]-2-phenoxypropan-1-one
CID 100626242
(2R)-1-(4-methylpiperidin-1-yl)-2-phenoxypropan-1-one
CID 670229
pyridin-3-yl-[(3R)-3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidin-1-yl]methanone
CID 97158981
1-[4-[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]azetidine-1-carbonyl]piperidin-1-yl]ethanone
CID 122247458
N-thiophen-2-yl-4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]piperidine-1-carboxamide
CID 71798781
[4-[(5-tert-butyl-2-pyridinyl)oxy]piperidin-1-yl]-cyclopropylmethanone
CID 166572022
1,6-dimethyl-4-[1-(2-phenoxypropanoyl)piperidin-4-yl]oxypyridin-2-one
CID 121156254
3,3-diphenyl-1-[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]azetidin-1-yl]propan-1-one
CID 122247581
N-(3-chlorophenyl)-4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]piperidine-1-carboxamide
CID 71798778

Frequently Asked Questions

What is the IUPAC name of (2R)-2-phenoxy-1-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]piperidin-1-yl]propan-1-one?
The IUPAC name of (2R)-2-phenoxy-1-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]piperidin-1-yl]propan-1-one (CID 97104981) is (2R)-2-phenoxy-1-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]piperidin-1-yl]propan-1-one.
What is the SMILES notation for (2R)-2-phenoxy-1-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]piperidin-1-yl]propan-1-one?
The canonical SMILES for (2R)-2-phenoxy-1-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]piperidin-1-yl]propan-1-one is C[C@@H](Oc1ccccc1)C(=O)N1CCC(Oc2ccc(C(F)(F)F)cn2)CC1.
What is the InChIKey of (2R)-2-phenoxy-1-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]piperidin-1-yl]propan-1-one?
The InChIKey is UVYDRFYVDKKZDJ-CQSZACIVSA-N. The full InChI is InChI=1S/C20H21F3N2O3/c1-14(27-16-5-3-2-4-6-16)19(26)25-11-9-17(10-12-25)28-18-8-7-15(13-24-18)20(21,22)23/h2-8,13-14,17H,9-12H2,1H3/t14-/m1/s1.
What are the key properties of (2R)-2-phenoxy-1-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]piperidin-1-yl]propan-1-one?
(2R)-2-phenoxy-1-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]piperidin-1-yl]propan-1-one has a molecular weight of 394.39 g/mol, XLogP of 3.94, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-phenoxy-1-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]piperidin-1-yl]propan-1-one is sourced from PubChem (CID 97104981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).