2-cyclohexyloxy-1-[4-[[2-(trifluoromethyl)-4-pyridinyl]amino]piperidin-1-yl]ethanone

C19H26F3N3O2 — CID 70821834

IUPAC2-cyclohexyloxy-1-[4-[[2-(trifluoromethyl)-4-pyridinyl]amino]piperidin-1-yl]ethanone
SMILESO=C(COC1CCCCC1)N1CCC(Nc2ccnc(C(F)(F)F)c2)CC1
InChIInChI=1S/C19H26F3N3O2/c20-19(21,22)17-12-15(6-9-23-17)24-14-7-10-25(11-8-14)18(26)13-27-16-4-2-1-3-5-16/h6,9,12,14,16H,1-5,7-8,10-11,13H2,(H,23,24)
InChIKeyMRTGKMSFQVBSGF-UHFFFAOYSA-N
MW385.43 g/mol
LogP3.85
Rot. Bonds5

About 2-cyclohexyloxy-1-[4-[[2-(trifluoromethyl)-4-pyridinyl]amino]piperidin-1-yl]ethanone

2-cyclohexyloxy-1-[4-[[2-(trifluoromethyl)-4-pyridinyl]amino]piperidin-1-yl]ethanone (PubChem CID 70821834) has the molecular formula C19H26F3N3O2 and a molecular weight of 385.43 g/mol. Its IUPAC name is 2-cyclohexyloxy-1-[4-[[2-(trifluoromethyl)-4-pyridinyl]amino]piperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-cyclohexyloxy-1-[4-[[2-(trifluoromethyl)-4-pyridinyl]amino]piperidin-1-yl]ethanone
PubChem CID70821834
Molecular FormulaC19H26F3N3O2
Molecular Weight385.43 g/mol
Exact Mass385.20
IUPAC Name2-cyclohexyloxy-1-[4-[[2-(trifluoromethyl)-4-pyridinyl]amino]piperidin-1-yl]ethanone
SMILESO=C(COC1CCCCC1)N1CCC(Nc2ccnc(C(F)(F)F)c2)CC1
InChIInChI=1S/C19H26F3N3O2/c20-19(21,22)17-12-15(6-9-23-17)24-14-7-10-25(11-8-14)18(26)13-27-16-4-2-1-3-5-16/h6,9,12,14,16H,1-5,7-8,10-11,13H2,(H,23,24)
InChIKeyMRTGKMSFQVBSGF-UHFFFAOYSA-N
XLogP3.85
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.43
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyloxy-1-[4-[[2-(trifluoromethyl)-4-pyridinyl]amino]piperidin-1-yl]ethanone?
The IUPAC name of 2-cyclohexyloxy-1-[4-[[2-(trifluoromethyl)-4-pyridinyl]amino]piperidin-1-yl]ethanone (CID 70821834) is 2-cyclohexyloxy-1-[4-[[2-(trifluoromethyl)-4-pyridinyl]amino]piperidin-1-yl]ethanone.
What is the SMILES notation for 2-cyclohexyloxy-1-[4-[[2-(trifluoromethyl)-4-pyridinyl]amino]piperidin-1-yl]ethanone?
The canonical SMILES for 2-cyclohexyloxy-1-[4-[[2-(trifluoromethyl)-4-pyridinyl]amino]piperidin-1-yl]ethanone is O=C(COC1CCCCC1)N1CCC(Nc2ccnc(C(F)(F)F)c2)CC1.
What is the InChIKey of 2-cyclohexyloxy-1-[4-[[2-(trifluoromethyl)-4-pyridinyl]amino]piperidin-1-yl]ethanone?
The InChIKey is MRTGKMSFQVBSGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26F3N3O2/c20-19(21,22)17-12-15(6-9-23-17)24-14-7-10-25(11-8-14)18(26)13-27-16-4-2-1-3-5-16/h6,9,12,14,16H,1-5,7-8,10-11,13H2,(H,23,24).
What are the key properties of 2-cyclohexyloxy-1-[4-[[2-(trifluoromethyl)-4-pyridinyl]amino]piperidin-1-yl]ethanone?
2-cyclohexyloxy-1-[4-[[2-(trifluoromethyl)-4-pyridinyl]amino]piperidin-1-yl]ethanone has a molecular weight of 385.43 g/mol, XLogP of 3.85, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyloxy-1-[4-[[2-(trifluoromethyl)-4-pyridinyl]amino]piperidin-1-yl]ethanone is sourced from PubChem (CID 70821834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).