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

C19H16ClF6N3O2 — CID 24525425

IUPAC1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-[2-(trifluoromethoxy)phenyl]piperidine-4-carboxamide
SMILESO=C(Nc1ccccc1OC(F)(F)F)C1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1
InChIInChI=1S/C19H16ClF6N3O2/c20-13-9-12(18(21,22)23)10-27-16(13)29-7-5-11(6-8-29)17(30)28-14-3-1-2-4-15(14)31-19(24,25)26/h1-4,9-11H,5-8H2,(H,28,30)
InChIKeyKVCKZJZASYRFHN-UHFFFAOYSA-N
MW467.80 g/mol
LogP5.51
Rot. Bonds4

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

1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-[2-(trifluoromethoxy)phenyl]piperidine-4-carboxamide (PubChem CID 24525425) has the molecular formula C19H16ClF6N3O2 and a molecular weight of 467.80 g/mol. Its IUPAC name is 1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-[2-(trifluoromethoxy)phenyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-[2-(trifluoromethoxy)phenyl]piperidine-4-carboxamide
PubChem CID24525425
Molecular FormulaC19H16ClF6N3O2
Molecular Weight467.80 g/mol
Exact Mass467.08
IUPAC Name1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-[2-(trifluoromethoxy)phenyl]piperidine-4-carboxamide
SMILESO=C(Nc1ccccc1OC(F)(F)F)C1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1
InChIInChI=1S/C19H16ClF6N3O2/c20-13-9-12(18(21,22)23)10-27-16(13)29-7-5-11(6-8-29)17(30)28-14-3-1-2-4-15(14)31-19(24,25)26/h1-4,9-11H,5-8H2,(H,28,30)
InChIKeyKVCKZJZASYRFHN-UHFFFAOYSA-N
XLogP5.51
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500467.80
LogP ≤ 55.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-[2-(trifluoromethoxy)phenyl]piperidine-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(3-chloro-2-fluorophenyl)-1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperidine-4-carboxamide
CID 26309310
1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-(4-fluoro-2-methylphenyl)piperidine-4-carboxamide
CID 55340902
1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-(6-methoxy-3-pyridinyl)piperidine-4-carboxamide
CID 9210826
N-benzyl-1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperidine-4-carboxamide
CID 9041027
methyl 1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperidine-4-carboxylate
CID 2775349
1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-(2,2,2-trifluoro-1-phenylethyl)piperidine-4-carboxamide
CID 55794869
1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-[5-(cyclopropylcarbamoyl)-2-methylphenyl]piperidine-4-carboxamide
CID 55783271
1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-pentan-3-ylpiperidine-4-carboxamide
CID 24680931
benzyl 2-[[1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperidine-4-carbonyl]amino]acetate
CID 26262954
[1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl] benzoate
CID 1483732
1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-(2-hydroxy-2-phenylethyl)piperidine-4-carboxamide
CID 55376305
1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-(3-methylbutan-2-yl)piperidine-4-carboxamide
CID 51153994

Frequently Asked Questions

What is the IUPAC name of 1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-[2-(trifluoromethoxy)phenyl]piperidine-4-carboxamide?
The IUPAC name of 1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-[2-(trifluoromethoxy)phenyl]piperidine-4-carboxamide (CID 24525425) is 1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-[2-(trifluoromethoxy)phenyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-[2-(trifluoromethoxy)phenyl]piperidine-4-carboxamide?
The canonical SMILES for 1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-[2-(trifluoromethoxy)phenyl]piperidine-4-carboxamide is O=C(Nc1ccccc1OC(F)(F)F)C1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1.
What is the InChIKey of 1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-[2-(trifluoromethoxy)phenyl]piperidine-4-carboxamide?
The InChIKey is KVCKZJZASYRFHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16ClF6N3O2/c20-13-9-12(18(21,22)23)10-27-16(13)29-7-5-11(6-8-29)17(30)28-14-3-1-2-4-15(14)31-19(24,25)26/h1-4,9-11H,5-8H2,(H,28,30).
What are the key properties of 1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-[2-(trifluoromethoxy)phenyl]piperidine-4-carboxamide?
1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-[2-(trifluoromethoxy)phenyl]piperidine-4-carboxamide has a molecular weight of 467.80 g/mol, XLogP of 5.51, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-[2-(trifluoromethoxy)phenyl]piperidine-4-carboxamide is sourced from PubChem (CID 24525425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).