1-[4-[[2-[3-(trifluoromethyl)phenoxy]-3-pyridinyl]methylamino]piperidin-1-yl]ethanone

C20H22F3N3O2 — CID 25275188

IUPAC1-[4-[[2-[3-(trifluoromethyl)phenoxy]-3-pyridinyl]methylamino]piperidin-1-yl]ethanone
SMILESCC(=O)N1CCC(NCc2cccnc2Oc2cccc(C(F)(F)F)c2)CC1
InChIInChI=1S/C20H22F3N3O2/c1-14(27)26-10-7-17(8-11-26)25-13-15-4-3-9-24-19(15)28-18-6-2-5-16(12-18)20(21,22)23/h2-6,9,12,17,25H,7-8,10-11,13H2,1H3
InChIKeyCNCCMWOBSUEWDU-UHFFFAOYSA-N
MW393.41 g/mol
LogP3.99
Rot. Bonds5

About 1-[4-[[2-[3-(trifluoromethyl)phenoxy]-3-pyridinyl]methylamino]piperidin-1-yl]ethanone

1-[4-[[2-[3-(trifluoromethyl)phenoxy]-3-pyridinyl]methylamino]piperidin-1-yl]ethanone (PubChem CID 25275188) has the molecular formula C20H22F3N3O2 and a molecular weight of 393.41 g/mol. Its IUPAC name is 1-[4-[[2-[3-(trifluoromethyl)phenoxy]-3-pyridinyl]methylamino]piperidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-[[2-[3-(trifluoromethyl)phenoxy]-3-pyridinyl]methylamino]piperidin-1-yl]ethanone
PubChem CID25275188
Molecular FormulaC20H22F3N3O2
Molecular Weight393.41 g/mol
Exact Mass393.17
IUPAC Name1-[4-[[2-[3-(trifluoromethyl)phenoxy]-3-pyridinyl]methylamino]piperidin-1-yl]ethanone
SMILESCC(=O)N1CCC(NCc2cccnc2Oc2cccc(C(F)(F)F)c2)CC1
InChIInChI=1S/C20H22F3N3O2/c1-14(27)26-10-7-17(8-11-26)25-13-15-4-3-9-24-19(15)28-18-6-2-5-16(12-18)20(21,22)23/h2-6,9,12,17,25H,7-8,10-11,13H2,1H3
InChIKeyCNCCMWOBSUEWDU-UHFFFAOYSA-N
XLogP3.99
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.41
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[[2-[3-(trifluoromethyl)phenoxy]-3-pyridinyl]methylamino]piperidin-1-yl]ethanone?
The IUPAC name of 1-[4-[[2-[3-(trifluoromethyl)phenoxy]-3-pyridinyl]methylamino]piperidin-1-yl]ethanone (CID 25275188) is 1-[4-[[2-[3-(trifluoromethyl)phenoxy]-3-pyridinyl]methylamino]piperidin-1-yl]ethanone.
What is the SMILES notation for 1-[4-[[2-[3-(trifluoromethyl)phenoxy]-3-pyridinyl]methylamino]piperidin-1-yl]ethanone?
The canonical SMILES for 1-[4-[[2-[3-(trifluoromethyl)phenoxy]-3-pyridinyl]methylamino]piperidin-1-yl]ethanone is CC(=O)N1CCC(NCc2cccnc2Oc2cccc(C(F)(F)F)c2)CC1.
What is the InChIKey of 1-[4-[[2-[3-(trifluoromethyl)phenoxy]-3-pyridinyl]methylamino]piperidin-1-yl]ethanone?
The InChIKey is CNCCMWOBSUEWDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22F3N3O2/c1-14(27)26-10-7-17(8-11-26)25-13-15-4-3-9-24-19(15)28-18-6-2-5-16(12-18)20(21,22)23/h2-6,9,12,17,25H,7-8,10-11,13H2,1H3.
What are the key properties of 1-[4-[[2-[3-(trifluoromethyl)phenoxy]-3-pyridinyl]methylamino]piperidin-1-yl]ethanone?
1-[4-[[2-[3-(trifluoromethyl)phenoxy]-3-pyridinyl]methylamino]piperidin-1-yl]ethanone has a molecular weight of 393.41 g/mol, XLogP of 3.99, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[[2-[3-(trifluoromethyl)phenoxy]-3-pyridinyl]methylamino]piperidin-1-yl]ethanone is sourced from PubChem (CID 25275188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).