N-(furan-2-ylmethyl)-4-hydroxy-4-[3-(trifluoromethyl)phenyl]piperidine-1-carboxamide

C18H19F3N2O3 — CID 119068027

IUPACN-(furan-2-ylmethyl)-4-hydroxy-4-[3-(trifluoromethyl)phenyl]piperidine-1-carboxamide
SMILESO=C(NCc1ccco1)N1CCC(O)(c2cccc(C(F)(F)F)c2)CC1
InChIInChI=1S/C18H19F3N2O3/c19-18(20,21)14-4-1-3-13(11-14)17(25)6-8-23(9-7-17)16(24)22-12-15-5-2-10-26-15/h1-5,10-11,25H,6-9,12H2,(H,22,24)
InChIKeyOSZPHVGBLSXKLN-UHFFFAOYSA-N
MW368.36 g/mol
LogP3.49
Rot. Bonds3

About N-(furan-2-ylmethyl)-4-hydroxy-4-[3-(trifluoromethyl)phenyl]piperidine-1-carboxamide

N-(furan-2-ylmethyl)-4-hydroxy-4-[3-(trifluoromethyl)phenyl]piperidine-1-carboxamide (PubChem CID 119068027) has the molecular formula C18H19F3N2O3 and a molecular weight of 368.36 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-4-hydroxy-4-[3-(trifluoromethyl)phenyl]piperidine-1-carboxamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-4-hydroxy-4-[3-(trifluoromethyl)phenyl]piperidine-1-carboxamide
PubChem CID119068027
Molecular FormulaC18H19F3N2O3
Molecular Weight368.36 g/mol
Exact Mass368.13
IUPAC NameN-(furan-2-ylmethyl)-4-hydroxy-4-[3-(trifluoromethyl)phenyl]piperidine-1-carboxamide
SMILESO=C(NCc1ccco1)N1CCC(O)(c2cccc(C(F)(F)F)c2)CC1
InChIInChI=1S/C18H19F3N2O3/c19-18(20,21)14-4-1-3-13(11-14)17(25)6-8-23(9-7-17)16(24)22-12-15-5-2-10-26-15/h1-5,10-11,25H,6-9,12H2,(H,22,24)
InChIKeyOSZPHVGBLSXKLN-UHFFFAOYSA-N
XLogP3.49
TPSA65.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.36
LogP ≤ 53.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-hydroxy-4-[3-(trifluoromethyl)phenyl]piperidin-1-yl]-2-morpholin-4-ylethanone
CID 56901291
(3R)-N-(furan-2-ylmethyl)-3-hydroxy-3-(2-methylphenyl)pyrrolidine-1-carboxamide
CID 126435745
1-methyl-4-[3-(trifluoromethyl)phenyl]piperidin-4-ol;hydroiodide
CID 171929292
(2R)-2-hydroxy-1-[4-hydroxy-4-[3-(trifluoromethyl)phenyl]piperidin-1-yl]-3-methylbutan-1-one
CID 95873840
(2-fluorophenyl)-[4-hydroxy-4-[3-(trifluoromethyl)phenyl]piperidin-1-yl]methanone
CID 56912424
N-(furan-2-ylmethylcarbamoyl)-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-ium-1-yl]acetamide
CID 2125852
4-hydroxy-N-(1H-indazol-3-yl)-4-[3-(trifluoromethyl)phenyl]piperidine-1-carboxamide
CID 11177159
1-ethyl-4-[3-(trifluoromethyl)phenyl]piperidin-4-ol
CID 55116078
4-(furan-2-ylmethyl)-N-[3-(trifluoromethyl)phenyl]piperazine-1-carboxamide
CID 6464316
[4-hydroxy-4-[3-(trifluoromethyl)phenyl]piperidin-1-yl]-(1H-pyrrol-3-yl)methanone
CID 56904857
(2S)-1-[4-hydroxy-4-[3-(trifluoromethyl)phenyl]piperidin-1-yl]-2-pyrrolidin-1-ylpropan-1-one
CID 95897796
[(2R)-1,4-dioxan-2-yl]-[4-hydroxy-4-[3-(trifluoromethyl)phenyl]piperidin-1-yl]methanone
CID 95893815

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-4-hydroxy-4-[3-(trifluoromethyl)phenyl]piperidine-1-carboxamide?
The IUPAC name of N-(furan-2-ylmethyl)-4-hydroxy-4-[3-(trifluoromethyl)phenyl]piperidine-1-carboxamide (CID 119068027) is N-(furan-2-ylmethyl)-4-hydroxy-4-[3-(trifluoromethyl)phenyl]piperidine-1-carboxamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-4-hydroxy-4-[3-(trifluoromethyl)phenyl]piperidine-1-carboxamide?
The canonical SMILES for N-(furan-2-ylmethyl)-4-hydroxy-4-[3-(trifluoromethyl)phenyl]piperidine-1-carboxamide is O=C(NCc1ccco1)N1CCC(O)(c2cccc(C(F)(F)F)c2)CC1.
What is the InChIKey of N-(furan-2-ylmethyl)-4-hydroxy-4-[3-(trifluoromethyl)phenyl]piperidine-1-carboxamide?
The InChIKey is OSZPHVGBLSXKLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19F3N2O3/c19-18(20,21)14-4-1-3-13(11-14)17(25)6-8-23(9-7-17)16(24)22-12-15-5-2-10-26-15/h1-5,10-11,25H,6-9,12H2,(H,22,24).
What are the key properties of N-(furan-2-ylmethyl)-4-hydroxy-4-[3-(trifluoromethyl)phenyl]piperidine-1-carboxamide?
N-(furan-2-ylmethyl)-4-hydroxy-4-[3-(trifluoromethyl)phenyl]piperidine-1-carboxamide has a molecular weight of 368.36 g/mol, XLogP of 3.49, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-4-hydroxy-4-[3-(trifluoromethyl)phenyl]piperidine-1-carboxamide is sourced from PubChem (CID 119068027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).