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

C21H30F3N3O2 — CID 146330085

IUPAC4-methoxy-N-[2-[4-[6-(trifluoromethyl)-2-pyridinyl]piperidin-1-yl]ethyl]cyclohexane-1-carboxamide
SMILESCOC1CCC(C(=O)NCCN2CCC(c3cccc(C(F)(F)F)n3)CC2)CC1
InChIInChI=1S/C21H30F3N3O2/c1-29-17-7-5-16(6-8-17)20(28)25-11-14-27-12-9-15(10-13-27)18-3-2-4-19(26-18)21(22,23)24/h2-4,15-17H,5-14H2,1H3,(H,25,28)
InChIKeyDFQSHXTUDLODFA-UHFFFAOYSA-N
MW413.48 g/mol
LogP3.60
Rot. Bonds6

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

4-methoxy-N-[2-[4-[6-(trifluoromethyl)-2-pyridinyl]piperidin-1-yl]ethyl]cyclohexane-1-carboxamide (PubChem CID 146330085) has the molecular formula C21H30F3N3O2 and a molecular weight of 413.48 g/mol. Its IUPAC name is 4-methoxy-N-[2-[4-[6-(trifluoromethyl)-2-pyridinyl]piperidin-1-yl]ethyl]cyclohexane-1-carboxamide.

Molecular Properties

Compound Name4-methoxy-N-[2-[4-[6-(trifluoromethyl)-2-pyridinyl]piperidin-1-yl]ethyl]cyclohexane-1-carboxamide
PubChem CID146330085
Molecular FormulaC21H30F3N3O2
Molecular Weight413.48 g/mol
Exact Mass413.23
IUPAC Name4-methoxy-N-[2-[4-[6-(trifluoromethyl)-2-pyridinyl]piperidin-1-yl]ethyl]cyclohexane-1-carboxamide
SMILESCOC1CCC(C(=O)NCCN2CCC(c3cccc(C(F)(F)F)n3)CC2)CC1
InChIInChI=1S/C21H30F3N3O2/c1-29-17-7-5-16(6-8-17)20(28)25-11-14-27-12-9-15(10-13-27)18-3-2-4-19(26-18)21(22,23)24/h2-4,15-17H,5-14H2,1H3,(H,25,28)
InChIKeyDFQSHXTUDLODFA-UHFFFAOYSA-N
XLogP3.60
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.48
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-[2-[4-[6-(trifluoromethyl)-2-pyridinyl]piperidin-1-yl]ethyl]cyclohexane-1-carboxamide?
The IUPAC name of 4-methoxy-N-[2-[4-[6-(trifluoromethyl)-2-pyridinyl]piperidin-1-yl]ethyl]cyclohexane-1-carboxamide (CID 146330085) is 4-methoxy-N-[2-[4-[6-(trifluoromethyl)-2-pyridinyl]piperidin-1-yl]ethyl]cyclohexane-1-carboxamide.
What is the SMILES notation for 4-methoxy-N-[2-[4-[6-(trifluoromethyl)-2-pyridinyl]piperidin-1-yl]ethyl]cyclohexane-1-carboxamide?
The canonical SMILES for 4-methoxy-N-[2-[4-[6-(trifluoromethyl)-2-pyridinyl]piperidin-1-yl]ethyl]cyclohexane-1-carboxamide is COC1CCC(C(=O)NCCN2CCC(c3cccc(C(F)(F)F)n3)CC2)CC1.
What is the InChIKey of 4-methoxy-N-[2-[4-[6-(trifluoromethyl)-2-pyridinyl]piperidin-1-yl]ethyl]cyclohexane-1-carboxamide?
The InChIKey is DFQSHXTUDLODFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30F3N3O2/c1-29-17-7-5-16(6-8-17)20(28)25-11-14-27-12-9-15(10-13-27)18-3-2-4-19(26-18)21(22,23)24/h2-4,15-17H,5-14H2,1H3,(H,25,28).
What are the key properties of 4-methoxy-N-[2-[4-[6-(trifluoromethyl)-2-pyridinyl]piperidin-1-yl]ethyl]cyclohexane-1-carboxamide?
4-methoxy-N-[2-[4-[6-(trifluoromethyl)-2-pyridinyl]piperidin-1-yl]ethyl]cyclohexane-1-carboxamide has a molecular weight of 413.48 g/mol, XLogP of 3.60, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-[2-[4-[6-(trifluoromethyl)-2-pyridinyl]piperidin-1-yl]ethyl]cyclohexane-1-carboxamide is sourced from PubChem (CID 146330085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).