N-[4-(difluoromethoxy)phenyl]-1-[5-(trifluoromethyl)pyridin-1-ium-2-yl]piperidine-4-carboxamide

C19H19F5N3O2+ — CID 9273449

IUPACN-[4-(difluoromethoxy)phenyl]-1-[5-(trifluoromethyl)pyridin-1-ium-2-yl]piperidine-4-carboxamide
SMILESO=C(Nc1ccc(OC(F)F)cc1)C1CCN(c2ccc(C(F)(F)F)c[nH+]2)CC1
InChIInChI=1S/C19H18F5N3O2/c20-18(21)29-15-4-2-14(3-5-15)26-17(28)12-7-9-27(10-8-12)16-6-1-13(11-25-16)19(22,23)24/h1-6,11-12,18H,7-10H2,(H,26,28)/p+1
InChIKeyURUPMFFSZBQJPO-UHFFFAOYSA-O
MW416.37 g/mol
LogP3.98
Rot. Bonds5

About N-[4-(difluoromethoxy)phenyl]-1-[5-(trifluoromethyl)pyridin-1-ium-2-yl]piperidine-4-carboxamide

N-[4-(difluoromethoxy)phenyl]-1-[5-(trifluoromethyl)pyridin-1-ium-2-yl]piperidine-4-carboxamide (PubChem CID 9273449) has the molecular formula C19H19F5N3O2+ and a molecular weight of 416.37 g/mol. Its IUPAC name is N-[4-(difluoromethoxy)phenyl]-1-[5-(trifluoromethyl)pyridin-1-ium-2-yl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[4-(difluoromethoxy)phenyl]-1-[5-(trifluoromethyl)pyridin-1-ium-2-yl]piperidine-4-carboxamide
PubChem CID9273449
Molecular FormulaC19H19F5N3O2+
Molecular Weight416.37 g/mol
Exact Mass416.14
IUPAC NameN-[4-(difluoromethoxy)phenyl]-1-[5-(trifluoromethyl)pyridin-1-ium-2-yl]piperidine-4-carboxamide
SMILESO=C(Nc1ccc(OC(F)F)cc1)C1CCN(c2ccc(C(F)(F)F)c[nH+]2)CC1
InChIInChI=1S/C19H18F5N3O2/c20-18(21)29-15-4-2-14(3-5-15)26-17(28)12-7-9-27(10-8-12)16-6-1-13(11-25-16)19(22,23)24/h1-6,11-12,18H,7-10H2,(H,26,28)/p+1
InChIKeyURUPMFFSZBQJPO-UHFFFAOYSA-O
XLogP3.98
TPSA55.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.37
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-ethylphenyl)-1-[5-(trifluoromethyl)pyridin-1-ium-2-yl]piperidine-4-carboxamide
CID 9208737
N-(3,4-dimethylphenyl)-1-[5-(trifluoromethyl)pyridin-1-ium-2-yl]piperidine-4-carboxamide
CID 9039747
N-(3-acetylphenyl)-1-[5-(trifluoromethyl)pyridin-1-ium-2-yl]piperidine-4-carboxamide
CID 9209608
N-piperidin-1-yl-1-[5-(trifluoromethyl)pyridin-1-ium-2-yl]piperidine-4-carboxamide
CID 9271804
N-(3-chloro-2-methylphenyl)-1-[5-(trifluoromethyl)pyridin-1-ium-2-yl]piperidine-4-carboxamide
CID 9204233
methyl (2R)-4-methylsulfanyl-2-[[1-[5-(trifluoromethyl)pyridin-1-ium-2-yl]piperidine-4-carbonyl]amino]butanoate
CID 9427114
1-(2,6-dichlorophenyl)sulfonyl-N-[4-(difluoromethoxy)phenyl]piperidine-4-carboxamide
CID 34033160
N-(2-methyl-3-nitrophenyl)-1-[5-(trifluoromethyl)pyridin-1-ium-2-yl]piperidine-4-carboxamide
CID 9270705
N-[4-(difluoromethoxy)phenyl]-1-(4-fluorophenyl)sulfonylpiperidine-4-carboxamide
CID 34033203
1-pentyl-3-[[1-[5-(trifluoromethyl)pyridin-1-ium-2-yl]piperidine-4-carbonyl]amino]thiourea
CID 9187699
1-[2-[4-(difluoromethoxy)anilino]benzoyl]-N-phenylpiperidine-4-carboxamide
CID 55397745
1-propanoyl-N-[4-(trifluoromethyl)phenyl]piperidine-4-carboxamide
CID 113007799

Frequently Asked Questions

What is the IUPAC name of N-[4-(difluoromethoxy)phenyl]-1-[5-(trifluoromethyl)pyridin-1-ium-2-yl]piperidine-4-carboxamide?
The IUPAC name of N-[4-(difluoromethoxy)phenyl]-1-[5-(trifluoromethyl)pyridin-1-ium-2-yl]piperidine-4-carboxamide (CID 9273449) is N-[4-(difluoromethoxy)phenyl]-1-[5-(trifluoromethyl)pyridin-1-ium-2-yl]piperidine-4-carboxamide.
What is the SMILES notation for N-[4-(difluoromethoxy)phenyl]-1-[5-(trifluoromethyl)pyridin-1-ium-2-yl]piperidine-4-carboxamide?
The canonical SMILES for N-[4-(difluoromethoxy)phenyl]-1-[5-(trifluoromethyl)pyridin-1-ium-2-yl]piperidine-4-carboxamide is O=C(Nc1ccc(OC(F)F)cc1)C1CCN(c2ccc(C(F)(F)F)c[nH+]2)CC1.
What is the InChIKey of N-[4-(difluoromethoxy)phenyl]-1-[5-(trifluoromethyl)pyridin-1-ium-2-yl]piperidine-4-carboxamide?
The InChIKey is URUPMFFSZBQJPO-UHFFFAOYSA-O. The full InChI is InChI=1S/C19H18F5N3O2/c20-18(21)29-15-4-2-14(3-5-15)26-17(28)12-7-9-27(10-8-12)16-6-1-13(11-25-16)19(22,23)24/h1-6,11-12,18H,7-10H2,(H,26,28)/p+1.
What are the key properties of N-[4-(difluoromethoxy)phenyl]-1-[5-(trifluoromethyl)pyridin-1-ium-2-yl]piperidine-4-carboxamide?
N-[4-(difluoromethoxy)phenyl]-1-[5-(trifluoromethyl)pyridin-1-ium-2-yl]piperidine-4-carboxamide has a molecular weight of 416.37 g/mol, XLogP of 3.98, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(difluoromethoxy)phenyl]-1-[5-(trifluoromethyl)pyridin-1-ium-2-yl]piperidine-4-carboxamide is sourced from PubChem (CID 9273449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).