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

C18H15Cl2F4N3O — CID 26309310

IUPACN-(3-chloro-2-fluorophenyl)-1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperidine-4-carboxamide
SMILESO=C(Nc1cccc(Cl)c1F)C1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1
InChIInChI=1S/C18H15Cl2F4N3O/c19-12-2-1-3-14(15(12)21)26-17(28)10-4-6-27(7-5-10)16-13(20)8-11(9-25-16)18(22,23)24/h1-3,8-10H,4-7H2,(H,26,28)
InChIKeyVEPCHKOXWGIFBT-UHFFFAOYSA-N
MW436.24 g/mol
LogP5.40
Rot. Bonds3

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

N-(3-chloro-2-fluorophenyl)-1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperidine-4-carboxamide (PubChem CID 26309310) has the molecular formula C18H15Cl2F4N3O and a molecular weight of 436.24 g/mol. Its IUPAC name is N-(3-chloro-2-fluorophenyl)-1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(3-chloro-2-fluorophenyl)-1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperidine-4-carboxamide
PubChem CID26309310
Molecular FormulaC18H15Cl2F4N3O
Molecular Weight436.24 g/mol
Exact Mass435.05
IUPAC NameN-(3-chloro-2-fluorophenyl)-1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperidine-4-carboxamide
SMILESO=C(Nc1cccc(Cl)c1F)C1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1
InChIInChI=1S/C18H15Cl2F4N3O/c19-12-2-1-3-14(15(12)21)26-17(28)10-4-6-27(7-5-10)16-13(20)8-11(9-25-16)18(22,23)24/h1-3,8-10H,4-7H2,(H,26,28)
InChIKeyVEPCHKOXWGIFBT-UHFFFAOYSA-N
XLogP5.40
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500436.24
LogP ≤ 55.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-[2-(trifluoromethoxy)phenyl]piperidine-4-carboxamide
CID 24525425
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-(2,2,2-trifluoro-1-phenylethyl)piperidine-4-carboxamide
CID 55794869
N-benzyl-1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperidine-4-carboxamide
CID 9041027
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-(6-methoxy-3-pyridinyl)piperidine-4-carboxamide
CID 9210826
N-(1-carbamoylcyclopropyl)-1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperidine-4-carboxamide
CID 71852720
methyl 1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperidine-4-carboxylate
CID 2775349
1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-(3-methylbutan-2-yl)piperidine-4-carboxamide
CID 51153994
2-[[1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperidine-4-carbonyl]amino]-2-methylpropanoic acid
CID 120515805
1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-[(1R,2R)-2-methylcyclohexyl]piperidine-4-carboxamide
CID 9272845
1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-[2-[(2-fluorobenzoyl)amino]ethyl]piperidine-4-carboxamide
CID 55974429

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-2-fluorophenyl)-1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperidine-4-carboxamide?
The IUPAC name of N-(3-chloro-2-fluorophenyl)-1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperidine-4-carboxamide (CID 26309310) is N-(3-chloro-2-fluorophenyl)-1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperidine-4-carboxamide.
What is the SMILES notation for N-(3-chloro-2-fluorophenyl)-1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperidine-4-carboxamide?
The canonical SMILES for N-(3-chloro-2-fluorophenyl)-1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperidine-4-carboxamide is O=C(Nc1cccc(Cl)c1F)C1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1.
What is the InChIKey of N-(3-chloro-2-fluorophenyl)-1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperidine-4-carboxamide?
The InChIKey is VEPCHKOXWGIFBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15Cl2F4N3O/c19-12-2-1-3-14(15(12)21)26-17(28)10-4-6-27(7-5-10)16-13(20)8-11(9-25-16)18(22,23)24/h1-3,8-10H,4-7H2,(H,26,28).
What are the key properties of N-(3-chloro-2-fluorophenyl)-1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperidine-4-carboxamide?
N-(3-chloro-2-fluorophenyl)-1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperidine-4-carboxamide has a molecular weight of 436.24 g/mol, XLogP of 5.40, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-2-fluorophenyl)-1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperidine-4-carboxamide is sourced from PubChem (CID 26309310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).