4-hydroxy-N-(5-methyl-2-pyridinyl)-4-[3-(trifluoromethoxy)phenyl]piperidine-1-carboxamide

C19H20F3N3O3 — CID 138994954

IUPAC4-hydroxy-N-(5-methyl-2-pyridinyl)-4-[3-(trifluoromethoxy)phenyl]piperidine-1-carboxamide
SMILESCc1ccc(NC(=O)N2CCC(O)(c3cccc(OC(F)(F)F)c3)CC2)nc1
InChIInChI=1S/C19H20F3N3O3/c1-13-5-6-16(23-12-13)24-17(26)25-9-7-18(27,8-10-25)14-3-2-4-15(11-14)28-19(20,21)22/h2-6,11-12,27H,7-10H2,1H3,(H,23,24,26)
InChIKeyLIUFXFNPWDIEIE-UHFFFAOYSA-N
MW395.38 g/mol
LogP3.80
Rot. Bonds3

About 4-hydroxy-N-(5-methyl-2-pyridinyl)-4-[3-(trifluoromethoxy)phenyl]piperidine-1-carboxamide

4-hydroxy-N-(5-methyl-2-pyridinyl)-4-[3-(trifluoromethoxy)phenyl]piperidine-1-carboxamide (PubChem CID 138994954) has the molecular formula C19H20F3N3O3 and a molecular weight of 395.38 g/mol. Its IUPAC name is 4-hydroxy-N-(5-methyl-2-pyridinyl)-4-[3-(trifluoromethoxy)phenyl]piperidine-1-carboxamide.

Molecular Properties

Compound Name4-hydroxy-N-(5-methyl-2-pyridinyl)-4-[3-(trifluoromethoxy)phenyl]piperidine-1-carboxamide
PubChem CID138994954
Molecular FormulaC19H20F3N3O3
Molecular Weight395.38 g/mol
Exact Mass395.15
IUPAC Name4-hydroxy-N-(5-methyl-2-pyridinyl)-4-[3-(trifluoromethoxy)phenyl]piperidine-1-carboxamide
SMILESCc1ccc(NC(=O)N2CCC(O)(c3cccc(OC(F)(F)F)c3)CC2)nc1
InChIInChI=1S/C19H20F3N3O3/c1-13-5-6-16(23-12-13)24-17(26)25-9-7-18(27,8-10-25)14-3-2-4-15(11-14)28-19(20,21)22/h2-6,11-12,27H,7-10H2,1H3,(H,23,24,26)
InChIKeyLIUFXFNPWDIEIE-UHFFFAOYSA-N
XLogP3.80
TPSA74.69 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.38
LogP ≤ 53.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3,5-dimethyl-1,2-oxazol-4-yl)-4-hydroxy-4-[3-(trifluoromethoxy)phenyl]piperidine-1-carboxamide
CID 138996285
N-(1,4-dimethyl-2-oxo-3-pyridinyl)-4-hydroxy-4-[3-(trifluoromethoxy)phenyl]piperidine-1-carboxamide
CID 138994950
4-hydroxy-4-[3-(trifluoromethoxy)phenyl]piperidine-1-carboxylic acid
CID 23149910
N-(5-methyl-2-pyridinyl)-1-[3-(trifluoromethoxy)phenyl]sulfonylpiperidine-4-carboxamide
CID 32697328
N-(5-methyl-2-pyridinyl)-4-[6-(trifluoromethyl)-2-pyridinyl]piperazine-1-carboxamide
CID 158285973
1-(1-tert-butylpyrazolo[5,4-d]pyrimidin-4-yl)-4-[3-(trifluoromethoxy)phenyl]piperidin-4-ol
CID 133497655
3-[4-hydroxy-4-[3-(trifluoromethoxy)phenyl]piperidin-1-yl]pyrazine-2-carbonitrile
CID 133497718
4-(3-chloro-2-pyridinyl)-4-fluoro-N-(5-methyl-2-pyridinyl)piperidine-1-carboxamide;methane
CID 161177971
1-(5-chloro-3-nitro-2-pyridinyl)-4-[3-(trifluoromethoxy)phenyl]piperidin-4-ol
CID 133497669
ethyl 3-[[4-hydroxy-4-(5-methyl-2-pyridinyl)piperidine-1-carbonyl]amino]benzoate
CID 23071766
4-propan-2-yl-1-[3-(trifluoromethoxy)phenyl]cyclohexan-1-ol
CID 63407060
4-[4-hydroxy-4-[3-(trifluoromethoxy)phenyl]piperidin-1-yl]-2,6-dimethylpyridine-3-carbonitrile
CID 133497706

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-N-(5-methyl-2-pyridinyl)-4-[3-(trifluoromethoxy)phenyl]piperidine-1-carboxamide?
The IUPAC name of 4-hydroxy-N-(5-methyl-2-pyridinyl)-4-[3-(trifluoromethoxy)phenyl]piperidine-1-carboxamide (CID 138994954) is 4-hydroxy-N-(5-methyl-2-pyridinyl)-4-[3-(trifluoromethoxy)phenyl]piperidine-1-carboxamide.
What is the SMILES notation for 4-hydroxy-N-(5-methyl-2-pyridinyl)-4-[3-(trifluoromethoxy)phenyl]piperidine-1-carboxamide?
The canonical SMILES for 4-hydroxy-N-(5-methyl-2-pyridinyl)-4-[3-(trifluoromethoxy)phenyl]piperidine-1-carboxamide is Cc1ccc(NC(=O)N2CCC(O)(c3cccc(OC(F)(F)F)c3)CC2)nc1.
What is the InChIKey of 4-hydroxy-N-(5-methyl-2-pyridinyl)-4-[3-(trifluoromethoxy)phenyl]piperidine-1-carboxamide?
The InChIKey is LIUFXFNPWDIEIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20F3N3O3/c1-13-5-6-16(23-12-13)24-17(26)25-9-7-18(27,8-10-25)14-3-2-4-15(11-14)28-19(20,21)22/h2-6,11-12,27H,7-10H2,1H3,(H,23,24,26).
What are the key properties of 4-hydroxy-N-(5-methyl-2-pyridinyl)-4-[3-(trifluoromethoxy)phenyl]piperidine-1-carboxamide?
4-hydroxy-N-(5-methyl-2-pyridinyl)-4-[3-(trifluoromethoxy)phenyl]piperidine-1-carboxamide has a molecular weight of 395.38 g/mol, XLogP of 3.80, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-N-(5-methyl-2-pyridinyl)-4-[3-(trifluoromethoxy)phenyl]piperidine-1-carboxamide is sourced from PubChem (CID 138994954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).