N-[3-(difluoromethoxy)-4-methoxyphenyl]-1-[3-(trifluoromethyl)-2-pyridinyl]piperidine-3-carboxamide

C20H20F5N3O3 — CID 46485215

IUPACN-[3-(difluoromethoxy)-4-methoxyphenyl]-1-[3-(trifluoromethyl)-2-pyridinyl]piperidine-3-carboxamide
SMILESCOc1ccc(NC(=O)C2CCCN(c3ncccc3C(F)(F)F)C2)cc1OC(F)F
InChIInChI=1S/C20H20F5N3O3/c1-30-15-7-6-13(10-16(15)31-19(21)22)27-18(29)12-4-3-9-28(11-12)17-14(20(23,24)25)5-2-8-26-17/h2,5-8,10,12,19H,3-4,9,11H2,1H3,(H,27,29)
InChIKeyDWLXCADQODTEPY-UHFFFAOYSA-N
MW445.39 g/mol
LogP4.57
Rot. Bonds6

About N-[3-(difluoromethoxy)-4-methoxyphenyl]-1-[3-(trifluoromethyl)-2-pyridinyl]piperidine-3-carboxamide

N-[3-(difluoromethoxy)-4-methoxyphenyl]-1-[3-(trifluoromethyl)-2-pyridinyl]piperidine-3-carboxamide (PubChem CID 46485215) has the molecular formula C20H20F5N3O3 and a molecular weight of 445.39 g/mol. Its IUPAC name is N-[3-(difluoromethoxy)-4-methoxyphenyl]-1-[3-(trifluoromethyl)-2-pyridinyl]piperidine-3-carboxamide.

Molecular Properties

Compound NameN-[3-(difluoromethoxy)-4-methoxyphenyl]-1-[3-(trifluoromethyl)-2-pyridinyl]piperidine-3-carboxamide
PubChem CID46485215
Molecular FormulaC20H20F5N3O3
Molecular Weight445.39 g/mol
Exact Mass445.14
IUPAC NameN-[3-(difluoromethoxy)-4-methoxyphenyl]-1-[3-(trifluoromethyl)-2-pyridinyl]piperidine-3-carboxamide
SMILESCOc1ccc(NC(=O)C2CCCN(c3ncccc3C(F)(F)F)C2)cc1OC(F)F
InChIInChI=1S/C20H20F5N3O3/c1-30-15-7-6-13(10-16(15)31-19(21)22)27-18(29)12-4-3-9-28(11-12)17-14(20(23,24)25)5-2-8-26-17/h2,5-8,10,12,19H,3-4,9,11H2,1H3,(H,27,29)
InChIKeyDWLXCADQODTEPY-UHFFFAOYSA-N
XLogP4.57
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.39
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[3-(difluoromethoxy)-4-methoxyphenyl]-1-[3-(trifluoromethyl)-2-pyridinyl]piperidine-3-carboxamide with MolForge

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Related Compounds

methyl 2-[[(3R)-1-[3-(trifluoromethyl)-2-pyridinyl]piperidine-3-carbonyl]amino]-1,3-thiazole-5-carboxylate
CID 51955858
N-phenyl-1-[1-[3-(trifluoromethyl)-2-pyridinyl]piperidine-3-carbonyl]piperidine-3-carboxamide
CID 55719268
N-[4-(sulfamoylmethyl)phenyl]-1-[3-(trifluoromethyl)-2-pyridinyl]piperidine-3-carboxamide
CID 55910572
1-[3-(trifluoromethyl)-2-pyridinyl]piperidine-3-carboxamide
CID 47174336
N-(4-iodo-2-methylphenyl)-1-[3-(trifluoromethyl)-2-pyridinyl]piperidine-3-carboxamide
CID 55712610
N-[1-[(3-fluoro-4-methoxyphenyl)methyl]piperidin-4-yl]-1-[3-(trifluoromethyl)-2-pyridinyl]piperidine-3-carboxamide
CID 55958777
(3S)-N-[(1R,2R)-2-methoxycyclohexyl]-1-[3-(trifluoromethyl)-2-pyridinyl]piperidine-3-carboxamide
CID 100700324
N-[(1R,2R)-2-methoxycyclohexyl]-1-[3-(trifluoromethyl)-2-pyridinyl]piperidine-3-carboxamide
CID 119036191
N'-[2-(trifluoromethyl)phenyl]-1-[3-(trifluoromethyl)-2-pyridinyl]piperidine-3-carbohydrazide
CID 55718313
(3S)-1-[3-(trifluoromethyl)-2-pyridinyl]-N-(2,3,4-trifluorophenyl)piperidine-3-carboxamide
CID 51955026
(3R)-N-[4-methoxy-3-(trifluoromethyl)phenyl]-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidine-3-carboxamide
CID 95114600
N-[3-(difluoromethoxy)-4-methoxyphenyl]-1-(4-methoxyphenyl)sulfonylpiperidine-3-carboxamide
CID 55539384

Frequently Asked Questions

What is the IUPAC name of N-[3-(difluoromethoxy)-4-methoxyphenyl]-1-[3-(trifluoromethyl)-2-pyridinyl]piperidine-3-carboxamide?
The IUPAC name of N-[3-(difluoromethoxy)-4-methoxyphenyl]-1-[3-(trifluoromethyl)-2-pyridinyl]piperidine-3-carboxamide (CID 46485215) is N-[3-(difluoromethoxy)-4-methoxyphenyl]-1-[3-(trifluoromethyl)-2-pyridinyl]piperidine-3-carboxamide.
What is the SMILES notation for N-[3-(difluoromethoxy)-4-methoxyphenyl]-1-[3-(trifluoromethyl)-2-pyridinyl]piperidine-3-carboxamide?
The canonical SMILES for N-[3-(difluoromethoxy)-4-methoxyphenyl]-1-[3-(trifluoromethyl)-2-pyridinyl]piperidine-3-carboxamide is COc1ccc(NC(=O)C2CCCN(c3ncccc3C(F)(F)F)C2)cc1OC(F)F.
What is the InChIKey of N-[3-(difluoromethoxy)-4-methoxyphenyl]-1-[3-(trifluoromethyl)-2-pyridinyl]piperidine-3-carboxamide?
The InChIKey is DWLXCADQODTEPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20F5N3O3/c1-30-15-7-6-13(10-16(15)31-19(21)22)27-18(29)12-4-3-9-28(11-12)17-14(20(23,24)25)5-2-8-26-17/h2,5-8,10,12,19H,3-4,9,11H2,1H3,(H,27,29).
What are the key properties of N-[3-(difluoromethoxy)-4-methoxyphenyl]-1-[3-(trifluoromethyl)-2-pyridinyl]piperidine-3-carboxamide?
N-[3-(difluoromethoxy)-4-methoxyphenyl]-1-[3-(trifluoromethyl)-2-pyridinyl]piperidine-3-carboxamide has a molecular weight of 445.39 g/mol, XLogP of 4.57, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(difluoromethoxy)-4-methoxyphenyl]-1-[3-(trifluoromethyl)-2-pyridinyl]piperidine-3-carboxamide is sourced from PubChem (CID 46485215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).