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

C20H23F3N3O+ — CID 9208737

IUPACN-(4-ethylphenyl)-1-[5-(trifluoromethyl)pyridin-1-ium-2-yl]piperidine-4-carboxamide
SMILESCCc1ccc(NC(=O)C2CCN(c3ccc(C(F)(F)F)c[nH+]3)CC2)cc1
InChIInChI=1S/C20H22F3N3O/c1-2-14-3-6-17(7-4-14)25-19(27)15-9-11-26(12-10-15)18-8-5-16(13-24-18)20(21,22)23/h3-8,13,15H,2,9-12H2,1H3,(H,25,27)/p+1
InChIKeyASUKBLKCYXOAPT-UHFFFAOYSA-O
MW378.42 g/mol
LogP3.94
Rot. Bonds4

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

N-(4-ethylphenyl)-1-[5-(trifluoromethyl)pyridin-1-ium-2-yl]piperidine-4-carboxamide (PubChem CID 9208737) has the molecular formula C20H23F3N3O+ and a molecular weight of 378.42 g/mol. Its IUPAC name is N-(4-ethylphenyl)-1-[5-(trifluoromethyl)pyridin-1-ium-2-yl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(4-ethylphenyl)-1-[5-(trifluoromethyl)pyridin-1-ium-2-yl]piperidine-4-carboxamide
PubChem CID9208737
Molecular FormulaC20H23F3N3O+
Molecular Weight378.42 g/mol
Exact Mass378.18
IUPAC NameN-(4-ethylphenyl)-1-[5-(trifluoromethyl)pyridin-1-ium-2-yl]piperidine-4-carboxamide
SMILESCCc1ccc(NC(=O)C2CCN(c3ccc(C(F)(F)F)c[nH+]3)CC2)cc1
InChIInChI=1S/C20H22F3N3O/c1-2-14-3-6-17(7-4-14)25-19(27)15-9-11-26(12-10-15)18-8-5-16(13-24-18)20(21,22)23/h3-8,13,15H,2,9-12H2,1H3,(H,25,27)/p+1
InChIKeyASUKBLKCYXOAPT-UHFFFAOYSA-O
XLogP3.94
TPSA46.48 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.42
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3,4-dimethylphenyl)-1-[5-(trifluoromethyl)pyridin-1-ium-2-yl]piperidine-4-carboxamide
CID 9039747
N-[4-(difluoromethoxy)phenyl]-1-[5-(trifluoromethyl)pyridin-1-ium-2-yl]piperidine-4-carboxamide
CID 9273449
N-(3-acetylphenyl)-1-[5-(trifluoromethyl)pyridin-1-ium-2-yl]piperidine-4-carboxamide
CID 9209608
N-[(4-fluorophenyl)methyl]-1-[5-(trifluoromethyl)pyridin-1-ium-2-yl]piperidine-4-carboxamide
CID 9192577
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
1-propanoyl-N-[4-(trifluoromethyl)phenyl]piperidine-4-carboxamide
CID 113007799
1-pentyl-3-[[1-[5-(trifluoromethyl)pyridin-1-ium-2-yl]piperidine-4-carbonyl]amino]thiourea
CID 9187699
N-(4-ethylphenyl)-1-pyrimidin-2-ylpiperidine-4-carboxamide
CID 3223112
N-(1,3-benzodioxol-5-ylmethyl)-1-[5-(trifluoromethyl)pyridin-1-ium-2-yl]piperidine-4-carboxamide
CID 9035725
N-(2-methyl-3-nitrophenyl)-1-[5-(trifluoromethyl)pyridin-1-ium-2-yl]piperidine-4-carboxamide
CID 9270705
methyl (2R)-4-methylsulfanyl-2-[[1-[5-(trifluoromethyl)pyridin-1-ium-2-yl]piperidine-4-carbonyl]amino]butanoate
CID 9427114

Frequently Asked Questions

What is the IUPAC name of N-(4-ethylphenyl)-1-[5-(trifluoromethyl)pyridin-1-ium-2-yl]piperidine-4-carboxamide?
The IUPAC name of N-(4-ethylphenyl)-1-[5-(trifluoromethyl)pyridin-1-ium-2-yl]piperidine-4-carboxamide (CID 9208737) is N-(4-ethylphenyl)-1-[5-(trifluoromethyl)pyridin-1-ium-2-yl]piperidine-4-carboxamide.
What is the SMILES notation for N-(4-ethylphenyl)-1-[5-(trifluoromethyl)pyridin-1-ium-2-yl]piperidine-4-carboxamide?
The canonical SMILES for N-(4-ethylphenyl)-1-[5-(trifluoromethyl)pyridin-1-ium-2-yl]piperidine-4-carboxamide is CCc1ccc(NC(=O)C2CCN(c3ccc(C(F)(F)F)c[nH+]3)CC2)cc1.
What is the InChIKey of N-(4-ethylphenyl)-1-[5-(trifluoromethyl)pyridin-1-ium-2-yl]piperidine-4-carboxamide?
The InChIKey is ASUKBLKCYXOAPT-UHFFFAOYSA-O. The full InChI is InChI=1S/C20H22F3N3O/c1-2-14-3-6-17(7-4-14)25-19(27)15-9-11-26(12-10-15)18-8-5-16(13-24-18)20(21,22)23/h3-8,13,15H,2,9-12H2,1H3,(H,25,27)/p+1.
What are the key properties of N-(4-ethylphenyl)-1-[5-(trifluoromethyl)pyridin-1-ium-2-yl]piperidine-4-carboxamide?
N-(4-ethylphenyl)-1-[5-(trifluoromethyl)pyridin-1-ium-2-yl]piperidine-4-carboxamide has a molecular weight of 378.42 g/mol, XLogP of 3.94, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethylphenyl)-1-[5-(trifluoromethyl)pyridin-1-ium-2-yl]piperidine-4-carboxamide is sourced from PubChem (CID 9208737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).