1-(4-cyclohexyloxypiperidin-1-yl)-2-[3-(trifluoromethyl)phenyl]sulfanylethanone

C20H26F3NO2S — CID 86873754

IUPAC1-(4-cyclohexyloxypiperidin-1-yl)-2-[3-(trifluoromethyl)phenyl]sulfanylethanone
SMILESO=C(CSc1cccc(C(F)(F)F)c1)N1CCC(OC2CCCCC2)CC1
InChIInChI=1S/C20H26F3NO2S/c21-20(22,23)15-5-4-8-18(13-15)27-14-19(25)24-11-9-17(10-12-24)26-16-6-2-1-3-7-16/h4-5,8,13,16-17H,1-3,6-7,9-12,14H2
InChIKeyIRKZBBYVMNZNRN-UHFFFAOYSA-N
MW401.49 g/mol
LogP5.14
Rot. Bonds5

About 1-(4-cyclohexyloxypiperidin-1-yl)-2-[3-(trifluoromethyl)phenyl]sulfanylethanone

1-(4-cyclohexyloxypiperidin-1-yl)-2-[3-(trifluoromethyl)phenyl]sulfanylethanone (PubChem CID 86873754) has the molecular formula C20H26F3NO2S and a molecular weight of 401.49 g/mol. Its IUPAC name is 1-(4-cyclohexyloxypiperidin-1-yl)-2-[3-(trifluoromethyl)phenyl]sulfanylethanone.

Molecular Properties

Compound Name1-(4-cyclohexyloxypiperidin-1-yl)-2-[3-(trifluoromethyl)phenyl]sulfanylethanone
PubChem CID86873754
Molecular FormulaC20H26F3NO2S
Molecular Weight401.49 g/mol
Exact Mass401.16
IUPAC Name1-(4-cyclohexyloxypiperidin-1-yl)-2-[3-(trifluoromethyl)phenyl]sulfanylethanone
SMILESO=C(CSc1cccc(C(F)(F)F)c1)N1CCC(OC2CCCCC2)CC1
InChIInChI=1S/C20H26F3NO2S/c21-20(22,23)15-5-4-8-18(13-15)27-14-19(25)24-11-9-17(10-12-24)26-16-6-2-1-3-7-16/h4-5,8,13,16-17H,1-3,6-7,9-12,14H2
InChIKeyIRKZBBYVMNZNRN-UHFFFAOYSA-N
XLogP5.14
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500401.49
LogP ≤ 55.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-(4-cyclohexyloxypiperidin-1-yl)-2-[3-(trifluoromethyl)phenyl]sulfanylethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[4-(piperidine-1-carbonyl)piperidin-1-yl]-2-[3-(trifluoromethyl)phenyl]sulfanylethanone
CID 86975378
1-[2-(aminomethyl)piperidin-1-yl]-2-[3-(trifluoromethyl)phenyl]sulfanylethanone;hydrochloride
CID 119466567
1-[3-(1-aminoethyl)piperidin-1-yl]-2-[3-(trifluoromethyl)phenyl]sulfanylethanone;hydrochloride
CID 119593171
2-amino-1-[4-[3-(trifluoromethyl)phenoxy]piperidin-1-yl]ethanone
CID 66591548
1-(2-methylpiperazin-1-yl)-2-[3-(trifluoromethyl)phenyl]sulfanylethanone
CID 119470392
2-[1-[3-(trifluoromethyl)phenyl]sulfanylpyrrolidin-3-yl]oxyacetic acid
CID 143657903
2-[3-(trifluoromethyl)phenyl]sulfanylacetohydrazide
CID 60651104
2-[[5-(cyclohexylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-1-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethanone
CID 34399274
2-(3-methoxyphenyl)sulfanyl-1-(4-pyrimidin-2-yloxypiperidin-1-yl)ethanone
CID 131909461
2-(3-acetylphenyl)sulfanyl-1-(azepan-1-yl)ethanone
CID 64663107
1-cyclohexyl-3-[1-(2-phenylsulfanylacetyl)piperidin-4-yl]urea
CID 47070919
1-(4-methylpiperidin-1-yl)-2-[3-(trifluoromethyl)phenyl]ethanone
CID 78768057

Frequently Asked Questions

What is the IUPAC name of 1-(4-cyclohexyloxypiperidin-1-yl)-2-[3-(trifluoromethyl)phenyl]sulfanylethanone?
The IUPAC name of 1-(4-cyclohexyloxypiperidin-1-yl)-2-[3-(trifluoromethyl)phenyl]sulfanylethanone (CID 86873754) is 1-(4-cyclohexyloxypiperidin-1-yl)-2-[3-(trifluoromethyl)phenyl]sulfanylethanone.
What is the SMILES notation for 1-(4-cyclohexyloxypiperidin-1-yl)-2-[3-(trifluoromethyl)phenyl]sulfanylethanone?
The canonical SMILES for 1-(4-cyclohexyloxypiperidin-1-yl)-2-[3-(trifluoromethyl)phenyl]sulfanylethanone is O=C(CSc1cccc(C(F)(F)F)c1)N1CCC(OC2CCCCC2)CC1.
What is the InChIKey of 1-(4-cyclohexyloxypiperidin-1-yl)-2-[3-(trifluoromethyl)phenyl]sulfanylethanone?
The InChIKey is IRKZBBYVMNZNRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26F3NO2S/c21-20(22,23)15-5-4-8-18(13-15)27-14-19(25)24-11-9-17(10-12-24)26-16-6-2-1-3-7-16/h4-5,8,13,16-17H,1-3,6-7,9-12,14H2.
What are the key properties of 1-(4-cyclohexyloxypiperidin-1-yl)-2-[3-(trifluoromethyl)phenyl]sulfanylethanone?
1-(4-cyclohexyloxypiperidin-1-yl)-2-[3-(trifluoromethyl)phenyl]sulfanylethanone has a molecular weight of 401.49 g/mol, XLogP of 5.14, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-cyclohexyloxypiperidin-1-yl)-2-[3-(trifluoromethyl)phenyl]sulfanylethanone is sourced from PubChem (CID 86873754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).