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

C19H18ClF3N2O3 — CID 121017876

IUPAC1-[4-[(3-chloro-4-pyridinyl)oxy]piperidin-1-yl]-2-[3-(trifluoromethyl)phenoxy]ethanone
SMILESO=C(COc1cccc(C(F)(F)F)c1)N1CCC(Oc2ccncc2Cl)CC1
InChIInChI=1S/C19H18ClF3N2O3/c20-16-11-24-7-4-17(16)28-14-5-8-25(9-6-14)18(26)12-27-15-3-1-2-13(10-15)19(21,22)23/h1-4,7,10-11,14H,5-6,8-9,12H2
InChIKeyQLKNUBMLPOQTPW-UHFFFAOYSA-N
MW414.81 g/mol
LogP4.20
Rot. Bonds5

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

1-[4-[(3-chloro-4-pyridinyl)oxy]piperidin-1-yl]-2-[3-(trifluoromethyl)phenoxy]ethanone (PubChem CID 121017876) has the molecular formula C19H18ClF3N2O3 and a molecular weight of 414.81 g/mol. Its IUPAC name is 1-[4-[(3-chloro-4-pyridinyl)oxy]piperidin-1-yl]-2-[3-(trifluoromethyl)phenoxy]ethanone.

Molecular Properties

Compound Name1-[4-[(3-chloro-4-pyridinyl)oxy]piperidin-1-yl]-2-[3-(trifluoromethyl)phenoxy]ethanone
PubChem CID121017876
Molecular FormulaC19H18ClF3N2O3
Molecular Weight414.81 g/mol
Exact Mass414.10
IUPAC Name1-[4-[(3-chloro-4-pyridinyl)oxy]piperidin-1-yl]-2-[3-(trifluoromethyl)phenoxy]ethanone
SMILESO=C(COc1cccc(C(F)(F)F)c1)N1CCC(Oc2ccncc2Cl)CC1
InChIInChI=1S/C19H18ClF3N2O3/c20-16-11-24-7-4-17(16)28-14-5-8-25(9-6-14)18(26)12-27-15-3-1-2-13(10-15)19(21,22)23/h1-4,7,10-11,14H,5-6,8-9,12H2
InChIKeyQLKNUBMLPOQTPW-UHFFFAOYSA-N
XLogP4.20
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.81
LogP ≤ 54.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-[4-[(3-chloro-4-pyridinyl)oxy]piperidin-1-yl]-2-[3-(trifluoromethyl)phenoxy]ethanone with MolForge

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Related Compounds

1-(4-pyrimidin-4-yloxypiperidin-1-yl)-2-[3-(trifluoromethyl)phenoxy]ethanone
CID 121162129
[3-[(3-chloro-4-pyridinyl)oxy]pyrrolidin-1-yl]-[3-(trifluoromethyl)phenyl]methanone
CID 121017487
2-pyridin-3-yl-1-[4-[3-(trifluoromethyl)phenoxy]piperidin-1-yl]ethanone
CID 70736464
3-[(3R)-1-[2-[3-(trifluoromethyl)phenoxy]acetyl]pyrrolidin-3-yl]oxypyrazine-2-carbonitrile
CID 100755791
2-amino-1-[4-[3-(trifluoromethyl)phenoxy]piperidin-1-yl]ethanone
CID 66591548
[4-[(3-chloro-4-pyridinyl)oxy]piperidin-1-yl]-pyrimidin-2-ylmethanone
CID 121017872
1-[3-[(3-chloro-4-pyridinyl)oxy]pyrrolidin-1-yl]-2-ethoxyethanone
CID 119100246
1-(1,4-diazepan-1-yl)-2-[3-(trifluoromethyl)phenoxy]ethanone;hydrochloride
CID 119415304
1-[3-[(3-chloro-4-pyridinyl)oxy]piperidin-1-yl]-2-(4-methylphenoxy)ethanone
CID 122256241
1-(3,9-diazabicyclo[4.2.1]nonan-3-yl)-2-[3-(trifluoromethyl)phenoxy]ethanone;hydrochloride
CID 119636082
1-[(7S)-7-phenyl-1,4-thiazepan-4-yl]-2-[3-(trifluoromethyl)phenoxy]ethanone
CID 99878400
1-[3-[(3-chloro-4-pyridinyl)oxy]piperidin-1-yl]-2-(2,4-dichlorophenoxy)ethanone
CID 122243477

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(3-chloro-4-pyridinyl)oxy]piperidin-1-yl]-2-[3-(trifluoromethyl)phenoxy]ethanone?
The IUPAC name of 1-[4-[(3-chloro-4-pyridinyl)oxy]piperidin-1-yl]-2-[3-(trifluoromethyl)phenoxy]ethanone (CID 121017876) is 1-[4-[(3-chloro-4-pyridinyl)oxy]piperidin-1-yl]-2-[3-(trifluoromethyl)phenoxy]ethanone.
What is the SMILES notation for 1-[4-[(3-chloro-4-pyridinyl)oxy]piperidin-1-yl]-2-[3-(trifluoromethyl)phenoxy]ethanone?
The canonical SMILES for 1-[4-[(3-chloro-4-pyridinyl)oxy]piperidin-1-yl]-2-[3-(trifluoromethyl)phenoxy]ethanone is O=C(COc1cccc(C(F)(F)F)c1)N1CCC(Oc2ccncc2Cl)CC1.
What is the InChIKey of 1-[4-[(3-chloro-4-pyridinyl)oxy]piperidin-1-yl]-2-[3-(trifluoromethyl)phenoxy]ethanone?
The InChIKey is QLKNUBMLPOQTPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClF3N2O3/c20-16-11-24-7-4-17(16)28-14-5-8-25(9-6-14)18(26)12-27-15-3-1-2-13(10-15)19(21,22)23/h1-4,7,10-11,14H,5-6,8-9,12H2.
What are the key properties of 1-[4-[(3-chloro-4-pyridinyl)oxy]piperidin-1-yl]-2-[3-(trifluoromethyl)phenoxy]ethanone?
1-[4-[(3-chloro-4-pyridinyl)oxy]piperidin-1-yl]-2-[3-(trifluoromethyl)phenoxy]ethanone has a molecular weight of 414.81 g/mol, XLogP of 4.20, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(3-chloro-4-pyridinyl)oxy]piperidin-1-yl]-2-[3-(trifluoromethyl)phenoxy]ethanone is sourced from PubChem (CID 121017876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).