3-[(3-chloro-4-pyridinyl)oxy]-N-[4-(trifluoromethyl)phenyl]piperidine-1-carboxamide

C18H17ClF3N3O2 — CID 122256475

IUPAC3-[(3-chloro-4-pyridinyl)oxy]-N-[4-(trifluoromethyl)phenyl]piperidine-1-carboxamide
SMILESO=C(Nc1ccc(C(F)(F)F)cc1)N1CCCC(Oc2ccncc2Cl)C1
InChIInChI=1S/C18H17ClF3N3O2/c19-15-10-23-8-7-16(15)27-14-2-1-9-25(11-14)17(26)24-13-5-3-12(4-6-13)18(20,21)22/h3-8,10,14H,1-2,9,11H2,(H,24,26)
InChIKeyWTLMRNHTIFFNMT-UHFFFAOYSA-N
MW399.80 g/mol
LogP4.83
Rot. Bonds3

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

3-[(3-chloro-4-pyridinyl)oxy]-N-[4-(trifluoromethyl)phenyl]piperidine-1-carboxamide (PubChem CID 122256475) has the molecular formula C18H17ClF3N3O2 and a molecular weight of 399.80 g/mol. Its IUPAC name is 3-[(3-chloro-4-pyridinyl)oxy]-N-[4-(trifluoromethyl)phenyl]piperidine-1-carboxamide.

Molecular Properties

Compound Name3-[(3-chloro-4-pyridinyl)oxy]-N-[4-(trifluoromethyl)phenyl]piperidine-1-carboxamide
PubChem CID122256475
Molecular FormulaC18H17ClF3N3O2
Molecular Weight399.80 g/mol
Exact Mass399.10
IUPAC Name3-[(3-chloro-4-pyridinyl)oxy]-N-[4-(trifluoromethyl)phenyl]piperidine-1-carboxamide
SMILESO=C(Nc1ccc(C(F)(F)F)cc1)N1CCCC(Oc2ccncc2Cl)C1
InChIInChI=1S/C18H17ClF3N3O2/c19-15-10-23-8-7-16(15)27-14-2-1-9-25(11-14)17(26)24-13-5-3-12(4-6-13)18(20,21)22/h3-8,10,14H,1-2,9,11H2,(H,24,26)
InChIKeyWTLMRNHTIFFNMT-UHFFFAOYSA-N
XLogP4.83
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.80
LogP ≤ 54.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[3-[(3-chloro-4-pyridinyl)oxy]piperidin-1-yl]-[4-(trifluoromethyl)phenyl]methanone
CID 122256222
3-pyridin-4-yloxy-N-[4-(trifluoromethyl)phenyl]piperidine-1-carboxamide
CID 122255985
3-[(3-chloro-4-pyridinyl)oxy]-N-(3,4-dimethylphenyl)piperidine-1-carboxamide
CID 122256463
2-chloro-1-[3-[(3-chloro-4-pyridinyl)oxy]piperidin-1-yl]ethanone
CID 122256173
N-[4-(trifluoromethyl)phenyl]-3-[4-(trifluoromethyl)pyrimidin-2-yl]oxypiperidine-1-carboxamide
CID 122267743
3-(4,6-dimethylpyrimidin-2-yl)oxy-N-[4-(trifluoromethyl)phenyl]piperidine-1-carboxamide
CID 122258090
4-bromo-1-[3-[(3-chloro-4-pyridinyl)oxy]piperidin-1-yl]butan-1-one
CID 122256280
2-chloro-1-[3-[(3-chloro-4-pyridinyl)oxy]piperidin-1-yl]propan-1-one
CID 122256176
4-[1-[[4-(trifluoromethyl)phenyl]carbamoyl]piperidin-3-yl]oxypyridine-2-carboxamide
CID 122257031
[3-[(3-chloro-4-pyridinyl)oxy]pyrrolidin-1-yl]-[3-(trifluoromethyl)phenyl]methanone
CID 121017487
1-[3-[(3-chloro-4-pyridinyl)oxy]piperidin-1-yl]-2-cyclopentylethanone
CID 122256170
(2-chloro-4-fluorophenyl)-[3-[(3-chloro-4-pyridinyl)oxy]piperidin-1-yl]methanone
CID 122256291

Frequently Asked Questions

What is the IUPAC name of 3-[(3-chloro-4-pyridinyl)oxy]-N-[4-(trifluoromethyl)phenyl]piperidine-1-carboxamide?
The IUPAC name of 3-[(3-chloro-4-pyridinyl)oxy]-N-[4-(trifluoromethyl)phenyl]piperidine-1-carboxamide (CID 122256475) is 3-[(3-chloro-4-pyridinyl)oxy]-N-[4-(trifluoromethyl)phenyl]piperidine-1-carboxamide.
What is the SMILES notation for 3-[(3-chloro-4-pyridinyl)oxy]-N-[4-(trifluoromethyl)phenyl]piperidine-1-carboxamide?
The canonical SMILES for 3-[(3-chloro-4-pyridinyl)oxy]-N-[4-(trifluoromethyl)phenyl]piperidine-1-carboxamide is O=C(Nc1ccc(C(F)(F)F)cc1)N1CCCC(Oc2ccncc2Cl)C1.
What is the InChIKey of 3-[(3-chloro-4-pyridinyl)oxy]-N-[4-(trifluoromethyl)phenyl]piperidine-1-carboxamide?
The InChIKey is WTLMRNHTIFFNMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClF3N3O2/c19-15-10-23-8-7-16(15)27-14-2-1-9-25(11-14)17(26)24-13-5-3-12(4-6-13)18(20,21)22/h3-8,10,14H,1-2,9,11H2,(H,24,26).
What are the key properties of 3-[(3-chloro-4-pyridinyl)oxy]-N-[4-(trifluoromethyl)phenyl]piperidine-1-carboxamide?
3-[(3-chloro-4-pyridinyl)oxy]-N-[4-(trifluoromethyl)phenyl]piperidine-1-carboxamide has a molecular weight of 399.80 g/mol, XLogP of 4.83, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-chloro-4-pyridinyl)oxy]-N-[4-(trifluoromethyl)phenyl]piperidine-1-carboxamide is sourced from PubChem (CID 122256475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).