4-pyridin-4-yloxy-N-[[2-(trifluoromethoxy)phenyl]methyl]piperidine-1-carboxamide

C19H20F3N3O3 — CID 46871779

IUPAC4-pyridin-4-yloxy-N-[[2-(trifluoromethoxy)phenyl]methyl]piperidine-1-carboxamide
SMILESO=C(NCc1ccccc1OC(F)(F)F)N1CCC(Oc2ccncc2)CC1
InChIInChI=1S/C19H20F3N3O3/c20-19(21,22)28-17-4-2-1-3-14(17)13-24-18(26)25-11-7-16(8-12-25)27-15-5-9-23-10-6-15/h1-6,9-10,16H,7-8,11-13H2,(H,24,26)
InChIKeyVIVYDKNMRZTMHS-UHFFFAOYSA-N
MW395.38 g/mol
LogP3.73
Rot. Bonds5

About 4-pyridin-4-yloxy-N-[[2-(trifluoromethoxy)phenyl]methyl]piperidine-1-carboxamide

4-pyridin-4-yloxy-N-[[2-(trifluoromethoxy)phenyl]methyl]piperidine-1-carboxamide (PubChem CID 46871779) has the molecular formula C19H20F3N3O3 and a molecular weight of 395.38 g/mol. Its IUPAC name is 4-pyridin-4-yloxy-N-[[2-(trifluoromethoxy)phenyl]methyl]piperidine-1-carboxamide.

Molecular Properties

Compound Name4-pyridin-4-yloxy-N-[[2-(trifluoromethoxy)phenyl]methyl]piperidine-1-carboxamide
PubChem CID46871779
Molecular FormulaC19H20F3N3O3
Molecular Weight395.38 g/mol
Exact Mass395.15
IUPAC Name4-pyridin-4-yloxy-N-[[2-(trifluoromethoxy)phenyl]methyl]piperidine-1-carboxamide
SMILESO=C(NCc1ccccc1OC(F)(F)F)N1CCC(Oc2ccncc2)CC1
InChIInChI=1S/C19H20F3N3O3/c20-19(21,22)28-17-4-2-1-3-14(17)13-24-18(26)25-11-7-16(8-12-25)27-15-5-9-23-10-6-15/h1-6,9-10,16H,7-8,11-13H2,(H,24,26)
InChIKeyVIVYDKNMRZTMHS-UHFFFAOYSA-N
XLogP3.73
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.38
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-(Pyridin-4-yloxy)phenyl)-3-(3-(trifluoromethyl)phenyl)urea
CID 15942672
1-[(5-Fluoro-2-pyridinyl)methyl]-1-(1-methylpiperidin-4-yl)-3-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]urea
CID 168286940
2-(2-methylphenoxy)-N-(3-pyridinylmethyl)propanamide
CID 2977532
2-[(2,4-Difluorophenyl)methoxy]-3-methyl-4-(piperidin-4-yl)pyridine
CID 25263333
3-Methyl-4-(piperidin-4-yl)-2-[2,2,2-trifluoro-1-(3-fluorophenyl)ethoxy]pyridine
CID 25263340
N-[(1R)-1-(3-methoxyphenyl)ethyl]-4-pyridin-4-ylpiperidine-1-carboxamide
CID 164575485
1-(4-Pyridyl)-3-[6-[4-(trifluoromethyl)phenoxy]hexyl]imidazolidin-2-one
CID 493080
3-(Piperidin-4-yl)-2-(2-(trifluoromethyl)phenoxy)pyridine
CID 44133672
1-(6-(2-Methoxyphenyl)pyridin-3-yl)-3-(4-(piperidin-1-yl)butyl)urea
CID 44611611
4-(pyrimidin-2-yloxy)-N-(2-(trifluoromethoxy)benzyl)piperidine-1-carboxamide
CID 46871778
3-(pyridin-4-yl)-N-(2-(trifluoromethoxy)benzyl)pyrrolidine-1-carboxamide
CID 46891217
1-[4-(2,6-Difluorophenoxy)-5-phenyl-2-pyridinyl]-3-methylurea
CID 150575761

Frequently Asked Questions

What is the IUPAC name of 4-pyridin-4-yloxy-N-[[2-(trifluoromethoxy)phenyl]methyl]piperidine-1-carboxamide?
The IUPAC name of 4-pyridin-4-yloxy-N-[[2-(trifluoromethoxy)phenyl]methyl]piperidine-1-carboxamide (CID 46871779) is 4-pyridin-4-yloxy-N-[[2-(trifluoromethoxy)phenyl]methyl]piperidine-1-carboxamide.
What is the SMILES notation for 4-pyridin-4-yloxy-N-[[2-(trifluoromethoxy)phenyl]methyl]piperidine-1-carboxamide?
The canonical SMILES for 4-pyridin-4-yloxy-N-[[2-(trifluoromethoxy)phenyl]methyl]piperidine-1-carboxamide is O=C(NCc1ccccc1OC(F)(F)F)N1CCC(Oc2ccncc2)CC1.
What is the InChIKey of 4-pyridin-4-yloxy-N-[[2-(trifluoromethoxy)phenyl]methyl]piperidine-1-carboxamide?
The InChIKey is VIVYDKNMRZTMHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20F3N3O3/c20-19(21,22)28-17-4-2-1-3-14(17)13-24-18(26)25-11-7-16(8-12-25)27-15-5-9-23-10-6-15/h1-6,9-10,16H,7-8,11-13H2,(H,24,26).
What are the key properties of 4-pyridin-4-yloxy-N-[[2-(trifluoromethoxy)phenyl]methyl]piperidine-1-carboxamide?
4-pyridin-4-yloxy-N-[[2-(trifluoromethoxy)phenyl]methyl]piperidine-1-carboxamide has a molecular weight of 395.38 g/mol, XLogP of 3.73, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-pyridin-4-yloxy-N-[[2-(trifluoromethoxy)phenyl]methyl]piperidine-1-carboxamide is sourced from PubChem (CID 46871779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).