2-[(4R)-3-fluoro-1-[2-[4-(trifluoromethoxy)phenyl]acetyl]piperidin-4-yl]oxy-4-hydroxybenzamide

C21H20F4N2O5 — CID 144999069

IUPAC2-[(4R)-3-fluoro-1-[2-[4-(trifluoromethoxy)phenyl]acetyl]piperidin-4-yl]oxy-4-hydroxybenzamide
SMILESNC(=O)c1ccc(O)cc1O[C@@H]1CCN(C(=O)Cc2ccc(OC(F)(F)F)cc2)CC1F
InChIInChI=1S/C21H20F4N2O5/c22-16-11-27(19(29)9-12-1-4-14(5-2-12)32-21(23,24)25)8-7-17(16)31-18-10-13(28)3-6-15(18)20(26)30/h1-6,10,16-17,28H,7-9,11H2,(H2,26,30)/t16?,17-/m1/s1
InChIKeyUANNGHDGFFIEMW-ZYMOGRSISA-N
MW456.39 g/mol
LogP2.95
Rot. Bonds6

About 2-[(4R)-3-fluoro-1-[2-[4-(trifluoromethoxy)phenyl]acetyl]piperidin-4-yl]oxy-4-hydroxybenzamide

2-[(4R)-3-fluoro-1-[2-[4-(trifluoromethoxy)phenyl]acetyl]piperidin-4-yl]oxy-4-hydroxybenzamide (PubChem CID 144999069) has the molecular formula C21H20F4N2O5 and a molecular weight of 456.39 g/mol. Its IUPAC name is 2-[(4R)-3-fluoro-1-[2-[4-(trifluoromethoxy)phenyl]acetyl]piperidin-4-yl]oxy-4-hydroxybenzamide.

Molecular Properties

Compound Name2-[(4R)-3-fluoro-1-[2-[4-(trifluoromethoxy)phenyl]acetyl]piperidin-4-yl]oxy-4-hydroxybenzamide
PubChem CID144999069
Molecular FormulaC21H20F4N2O5
Molecular Weight456.39 g/mol
Exact Mass456.13
IUPAC Name2-[(4R)-3-fluoro-1-[2-[4-(trifluoromethoxy)phenyl]acetyl]piperidin-4-yl]oxy-4-hydroxybenzamide
SMILESNC(=O)c1ccc(O)cc1O[C@@H]1CCN(C(=O)Cc2ccc(OC(F)(F)F)cc2)CC1F
InChIInChI=1S/C21H20F4N2O5/c22-16-11-27(19(29)9-12-1-4-14(5-2-12)32-21(23,24)25)8-7-17(16)31-18-10-13(28)3-6-15(18)20(26)30/h1-6,10,16-17,28H,7-9,11H2,(H2,26,30)/t16?,17-/m1/s1
InChIKeyUANNGHDGFFIEMW-ZYMOGRSISA-N
XLogP2.95
TPSA102.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.39
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(3R,4R)-3-fluoro-1-[2-[4-(trifluoromethoxy)phenyl]acetyl]piperidin-4-yl]oxy-4-(2-hydroxy-2-methylpropoxy)benzamide
CID 118665613
2-[(3R,4S)-3-fluoro-1-[2-[4-(trifluoromethoxy)phenyl]acetyl]piperidin-4-yl]oxy-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzamide
CID 140814436
2-[(4S)-3-fluoro-1-[2-[4-(trifluoromethoxy)phenyl]acetyl]piperidin-4-yl]oxy-5-(1-methylimidazol-4-yl)pyridine-3-carboxamide
CID 118189709
3-[(3S)-3-fluoro-1-[2-[4-(trifluoromethoxy)phenyl]acetyl]piperidin-4-yl]oxy-6-(1-methylpyrazol-4-yl)pyridazine-4-carboxamide
CID 162595812
2-[(4S)-3-fluoro-1-[2-[4-(trifluoromethoxy)phenyl]acetyl]piperidin-4-yl]oxy-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine-3-carboxamide
CID 144867148
1-(3-aminopiperidin-1-yl)-2-[4-(trifluoromethoxy)phenyl]ethanone;hydrochloride
CID 119381637
5-[N-methyl-C-(methyliminomethyl)carbonimidoyl]-2-[1-[2-[4-(trifluoromethoxy)phenyl]acetyl]piperidin-4-yl]oxybenzamide;propan-1-ol
CID 144867179
tert-butyl-[(3S)-1-[2-[4-(trifluoromethoxy)phenyl]acetyl]pyrrolidin-3-yl]carbamic acid
CID 67443015
2-[(3R,4S)-3-fluoro-1-[2-(4-methylphenyl)acetyl]piperidin-4-yl]oxy-5-(2-methyl-3H-pyrrol-5-yl)pyridine-3-carboxamide
CID 157312763
5-[3-(2-hydroxyethyl)-1,2-dihydroimidazol-5-yl]-2-[1-[2-[4-(trifluoromethoxy)phenyl]acetyl]piperidin-4-yl]oxybenzamide
CID 144867100
(3R)-N,N-dimethyl-1-[2-[4-(trifluoromethoxy)phenyl]acetyl]piperidine-3-carboxamide
CID 52539875
2-[(3R,4S)-3-fluoro-1-[2-(4-methylphenyl)acetyl]piperidin-4-yl]oxy-5-(3H-pyrrol-5-yl)pyridine-3-carboxamide
CID 160901595

Frequently Asked Questions

What is the IUPAC name of 2-[(4R)-3-fluoro-1-[2-[4-(trifluoromethoxy)phenyl]acetyl]piperidin-4-yl]oxy-4-hydroxybenzamide?
The IUPAC name of 2-[(4R)-3-fluoro-1-[2-[4-(trifluoromethoxy)phenyl]acetyl]piperidin-4-yl]oxy-4-hydroxybenzamide (CID 144999069) is 2-[(4R)-3-fluoro-1-[2-[4-(trifluoromethoxy)phenyl]acetyl]piperidin-4-yl]oxy-4-hydroxybenzamide.
What is the SMILES notation for 2-[(4R)-3-fluoro-1-[2-[4-(trifluoromethoxy)phenyl]acetyl]piperidin-4-yl]oxy-4-hydroxybenzamide?
The canonical SMILES for 2-[(4R)-3-fluoro-1-[2-[4-(trifluoromethoxy)phenyl]acetyl]piperidin-4-yl]oxy-4-hydroxybenzamide is NC(=O)c1ccc(O)cc1O[C@@H]1CCN(C(=O)Cc2ccc(OC(F)(F)F)cc2)CC1F.
What is the InChIKey of 2-[(4R)-3-fluoro-1-[2-[4-(trifluoromethoxy)phenyl]acetyl]piperidin-4-yl]oxy-4-hydroxybenzamide?
The InChIKey is UANNGHDGFFIEMW-ZYMOGRSISA-N. The full InChI is InChI=1S/C21H20F4N2O5/c22-16-11-27(19(29)9-12-1-4-14(5-2-12)32-21(23,24)25)8-7-17(16)31-18-10-13(28)3-6-15(18)20(26)30/h1-6,10,16-17,28H,7-9,11H2,(H2,26,30)/t16?,17-/m1/s1.
What are the key properties of 2-[(4R)-3-fluoro-1-[2-[4-(trifluoromethoxy)phenyl]acetyl]piperidin-4-yl]oxy-4-hydroxybenzamide?
2-[(4R)-3-fluoro-1-[2-[4-(trifluoromethoxy)phenyl]acetyl]piperidin-4-yl]oxy-4-hydroxybenzamide has a molecular weight of 456.39 g/mol, XLogP of 2.95, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4R)-3-fluoro-1-[2-[4-(trifluoromethoxy)phenyl]acetyl]piperidin-4-yl]oxy-4-hydroxybenzamide is sourced from PubChem (CID 144999069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).