2-methylsulfonyl-5-[4-[1-[[1-(trifluoromethyl)cyclobutyl]methyl]piperidin-4-yl]oxycyclohexyl]oxypyrazine

C22H32F3N3O4S — CID 53492463

IUPAC2-methylsulfonyl-5-[4-[1-[[1-(trifluoromethyl)cyclobutyl]methyl]piperidin-4-yl]oxycyclohexyl]oxypyrazine
SMILESCS(=O)(=O)c1cnc(OC2CCC(OC3CCN(CC4(C(F)(F)F)CCC4)CC3)CC2)cn1
InChIInChI=1S/C22H32F3N3O4S/c1-33(29,30)20-14-26-19(13-27-20)32-17-5-3-16(4-6-17)31-18-7-11-28(12-8-18)15-21(9-2-10-21)22(23,24)25/h13-14,16-18H,2-12,15H2,1H3
InChIKeyPKAKEFGIXRDJRP-UHFFFAOYSA-N
MW491.58 g/mol
LogP3.78
Rot. Bonds7

About 2-methylsulfonyl-5-[4-[1-[[1-(trifluoromethyl)cyclobutyl]methyl]piperidin-4-yl]oxycyclohexyl]oxypyrazine

2-methylsulfonyl-5-[4-[1-[[1-(trifluoromethyl)cyclobutyl]methyl]piperidin-4-yl]oxycyclohexyl]oxypyrazine (PubChem CID 53492463) has the molecular formula C22H32F3N3O4S and a molecular weight of 491.58 g/mol. Its IUPAC name is 2-methylsulfonyl-5-[4-[1-[[1-(trifluoromethyl)cyclobutyl]methyl]piperidin-4-yl]oxycyclohexyl]oxypyrazine.

Molecular Properties

Compound Name2-methylsulfonyl-5-[4-[1-[[1-(trifluoromethyl)cyclobutyl]methyl]piperidin-4-yl]oxycyclohexyl]oxypyrazine
PubChem CID53492463
Molecular FormulaC22H32F3N3O4S
Molecular Weight491.58 g/mol
Exact Mass491.21
IUPAC Name2-methylsulfonyl-5-[4-[1-[[1-(trifluoromethyl)cyclobutyl]methyl]piperidin-4-yl]oxycyclohexyl]oxypyrazine
SMILESCS(=O)(=O)c1cnc(OC2CCC(OC3CCN(CC4(C(F)(F)F)CCC4)CC3)CC2)cn1
InChIInChI=1S/C22H32F3N3O4S/c1-33(29,30)20-14-26-19(13-27-20)32-17-5-3-16(4-6-17)31-18-7-11-28(12-8-18)15-21(9-2-10-21)22(23,24)25/h13-14,16-18H,2-12,15H2,1H3
InChIKeyPKAKEFGIXRDJRP-UHFFFAOYSA-N
XLogP3.78
TPSA81.62 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500491.58
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 2-methylsulfonyl-5-[4-[1-[[1-(trifluoromethyl)cyclobutyl]methyl]piperidin-4-yl]oxycyclohexyl]oxypyrazine with MolForge

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Related Compounds

1,3-difluoropropan-2-yl 4-[4-(5-methylsulfonylpyrazin-2-yl)oxycyclohexyl]oxypiperidine-1-carboxylate
CID 53491780
N'-hydroxy-4-[4-(5-methylsulfonylpyrazin-2-yl)oxycyclohexyl]oxypiperidine-1-carboximidamide
CID 89388683
2-iodo-5-[[1-[[1-(trifluoromethyl)cyclobutyl]methyl]piperidin-4-yl]methoxy]pyrazine
CID 90017965
2-(2-fluorophenyl)-5-[[1-[[1-(trifluoromethyl)cyclobutyl]methyl]piperidin-4-yl]methoxy]pyrazine
CID 141382213
2-bromo-5-[4-(1-methylpiperidin-4-yl)oxycyclohexyl]oxypyrazine
CID 89388695
4-[4-[(5-methylsulfonyl-2-pyridinyl)oxy]cyclohexyl]oxypiperidine-1-carboxylic acid
CID 71224944
tert-butyl 4-[4-[(5-methylsulfonyl-2-pyridinyl)oxy]cyclohexyl]oxypiperidine-1-carboxylate
CID 67449879
3-(4-methylsulfonylphenyl)-2-[[1-[[1-(trifluoromethyl)cyclopropyl]methyl]piperidin-4-yl]methoxy]pyridine
CID 172795173
4-ethyl-1-[[1-(trifluoromethyl)cyclohexyl]methyl]piperidine
CID 155470209
5-[[4-[4-[(5-methylsulfonyl-2-pyridinyl)oxy]cyclohexyl]oxypiperidin-1-yl]methyl]-3-propan-2-yl-1,2,4-oxadiazole
CID 53492532
pyrrolidin-1-yl-[4-[6-[[1-[[1-(trifluoromethyl)cyclopentyl]methyl]piperidin-4-yl]methoxy]-3-pyridinyl]phenyl]methanone
CID 146229160
4-[6-[[1-[[1-(trifluoromethyl)cyclopropyl]methyl]piperidin-4-yl]methoxy]-3-pyridinyl]benzoic acid
CID 90017570

Frequently Asked Questions

What is the IUPAC name of 2-methylsulfonyl-5-[4-[1-[[1-(trifluoromethyl)cyclobutyl]methyl]piperidin-4-yl]oxycyclohexyl]oxypyrazine?
The IUPAC name of 2-methylsulfonyl-5-[4-[1-[[1-(trifluoromethyl)cyclobutyl]methyl]piperidin-4-yl]oxycyclohexyl]oxypyrazine (CID 53492463) is 2-methylsulfonyl-5-[4-[1-[[1-(trifluoromethyl)cyclobutyl]methyl]piperidin-4-yl]oxycyclohexyl]oxypyrazine.
What is the SMILES notation for 2-methylsulfonyl-5-[4-[1-[[1-(trifluoromethyl)cyclobutyl]methyl]piperidin-4-yl]oxycyclohexyl]oxypyrazine?
The canonical SMILES for 2-methylsulfonyl-5-[4-[1-[[1-(trifluoromethyl)cyclobutyl]methyl]piperidin-4-yl]oxycyclohexyl]oxypyrazine is CS(=O)(=O)c1cnc(OC2CCC(OC3CCN(CC4(C(F)(F)F)CCC4)CC3)CC2)cn1.
What is the InChIKey of 2-methylsulfonyl-5-[4-[1-[[1-(trifluoromethyl)cyclobutyl]methyl]piperidin-4-yl]oxycyclohexyl]oxypyrazine?
The InChIKey is PKAKEFGIXRDJRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H32F3N3O4S/c1-33(29,30)20-14-26-19(13-27-20)32-17-5-3-16(4-6-17)31-18-7-11-28(12-8-18)15-21(9-2-10-21)22(23,24)25/h13-14,16-18H,2-12,15H2,1H3.
What are the key properties of 2-methylsulfonyl-5-[4-[1-[[1-(trifluoromethyl)cyclobutyl]methyl]piperidin-4-yl]oxycyclohexyl]oxypyrazine?
2-methylsulfonyl-5-[4-[1-[[1-(trifluoromethyl)cyclobutyl]methyl]piperidin-4-yl]oxycyclohexyl]oxypyrazine has a molecular weight of 491.58 g/mol, XLogP of 3.78, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylsulfonyl-5-[4-[1-[[1-(trifluoromethyl)cyclobutyl]methyl]piperidin-4-yl]oxycyclohexyl]oxypyrazine is sourced from PubChem (CID 53492463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).