4,4-difluoro-N-[2-[4-[6-(trifluoromethyl)-2-pyridinyl]piperidin-1-yl]ethyl]cyclohexane-1-carboxamide

C20H26F5N3O — CID 142429260

IUPAC4,4-difluoro-N-[2-[4-[6-(trifluoromethyl)-2-pyridinyl]piperidin-1-yl]ethyl]cyclohexane-1-carboxamide
SMILESO=C(NCCN1CCC(c2cccc(C(F)(F)F)n2)CC1)C1CCC(F)(F)CC1
InChIInChI=1S/C20H26F5N3O/c21-19(22)8-4-15(5-9-19)18(29)26-10-13-28-11-6-14(7-12-28)16-2-1-3-17(27-16)20(23,24)25/h1-3,14-15H,4-13H2,(H,26,29)
InChIKeyOEXMEESXYABYFA-UHFFFAOYSA-N
MW419.44 g/mol
LogP4.22
Rot. Bonds5

About 4,4-difluoro-N-[2-[4-[6-(trifluoromethyl)-2-pyridinyl]piperidin-1-yl]ethyl]cyclohexane-1-carboxamide

4,4-difluoro-N-[2-[4-[6-(trifluoromethyl)-2-pyridinyl]piperidin-1-yl]ethyl]cyclohexane-1-carboxamide (PubChem CID 142429260) has the molecular formula C20H26F5N3O and a molecular weight of 419.44 g/mol. Its IUPAC name is 4,4-difluoro-N-[2-[4-[6-(trifluoromethyl)-2-pyridinyl]piperidin-1-yl]ethyl]cyclohexane-1-carboxamide.

Molecular Properties

Compound Name4,4-difluoro-N-[2-[4-[6-(trifluoromethyl)-2-pyridinyl]piperidin-1-yl]ethyl]cyclohexane-1-carboxamide
PubChem CID142429260
Molecular FormulaC20H26F5N3O
Molecular Weight419.44 g/mol
Exact Mass419.20
IUPAC Name4,4-difluoro-N-[2-[4-[6-(trifluoromethyl)-2-pyridinyl]piperidin-1-yl]ethyl]cyclohexane-1-carboxamide
SMILESO=C(NCCN1CCC(c2cccc(C(F)(F)F)n2)CC1)C1CCC(F)(F)CC1
InChIInChI=1S/C20H26F5N3O/c21-19(22)8-4-15(5-9-19)18(29)26-10-13-28-11-6-14(7-12-28)16-2-1-3-17(27-16)20(23,24)25/h1-3,14-15H,4-13H2,(H,26,29)
InChIKeyOEXMEESXYABYFA-UHFFFAOYSA-N
XLogP4.22
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.44
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4,4-difluoro-N-[2-[4-[6-(trifluoromethyl)-2-pyridinyl]piperidin-1-yl]ethyl]cyclohexane-1-carboxamide?
The IUPAC name of 4,4-difluoro-N-[2-[4-[6-(trifluoromethyl)-2-pyridinyl]piperidin-1-yl]ethyl]cyclohexane-1-carboxamide (CID 142429260) is 4,4-difluoro-N-[2-[4-[6-(trifluoromethyl)-2-pyridinyl]piperidin-1-yl]ethyl]cyclohexane-1-carboxamide.
What is the SMILES notation for 4,4-difluoro-N-[2-[4-[6-(trifluoromethyl)-2-pyridinyl]piperidin-1-yl]ethyl]cyclohexane-1-carboxamide?
The canonical SMILES for 4,4-difluoro-N-[2-[4-[6-(trifluoromethyl)-2-pyridinyl]piperidin-1-yl]ethyl]cyclohexane-1-carboxamide is O=C(NCCN1CCC(c2cccc(C(F)(F)F)n2)CC1)C1CCC(F)(F)CC1.
What is the InChIKey of 4,4-difluoro-N-[2-[4-[6-(trifluoromethyl)-2-pyridinyl]piperidin-1-yl]ethyl]cyclohexane-1-carboxamide?
The InChIKey is OEXMEESXYABYFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26F5N3O/c21-19(22)8-4-15(5-9-19)18(29)26-10-13-28-11-6-14(7-12-28)16-2-1-3-17(27-16)20(23,24)25/h1-3,14-15H,4-13H2,(H,26,29).
What are the key properties of 4,4-difluoro-N-[2-[4-[6-(trifluoromethyl)-2-pyridinyl]piperidin-1-yl]ethyl]cyclohexane-1-carboxamide?
4,4-difluoro-N-[2-[4-[6-(trifluoromethyl)-2-pyridinyl]piperidin-1-yl]ethyl]cyclohexane-1-carboxamide has a molecular weight of 419.44 g/mol, XLogP of 4.22, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-difluoro-N-[2-[4-[6-(trifluoromethyl)-2-pyridinyl]piperidin-1-yl]ethyl]cyclohexane-1-carboxamide is sourced from PubChem (CID 142429260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).