propan-2-yl 4-[1-(2-fluoro-4-methylsulfonylphenyl)indol-4-yl]oxypiperidine-1-carboxylate

C24H27FN2O5S — CID 68846633

IUPACpropan-2-yl 4-[1-(2-fluoro-4-methylsulfonylphenyl)indol-4-yl]oxypiperidine-1-carboxylate
SMILESCC(C)OC(=O)N1CCC(Oc2cccc3c2ccn3-c2ccc(S(C)(=O)=O)cc2F)CC1
InChIInChI=1S/C24H27FN2O5S/c1-16(2)31-24(28)26-12-9-17(10-13-26)32-23-6-4-5-21-19(23)11-14-27(21)22-8-7-18(15-20(22)25)33(3,29)30/h4-8,11,14-17H,9-10,12-13H2,1-3H3
InChIKeyRCKQWWRZVQUCRS-UHFFFAOYSA-N
MW474.55 g/mol
LogP4.56
Rot. Bonds5

About propan-2-yl 4-[1-(2-fluoro-4-methylsulfonylphenyl)indol-4-yl]oxypiperidine-1-carboxylate

propan-2-yl 4-[1-(2-fluoro-4-methylsulfonylphenyl)indol-4-yl]oxypiperidine-1-carboxylate (PubChem CID 68846633) has the molecular formula C24H27FN2O5S and a molecular weight of 474.55 g/mol. Its IUPAC name is propan-2-yl 4-[1-(2-fluoro-4-methylsulfonylphenyl)indol-4-yl]oxypiperidine-1-carboxylate.

Molecular Properties

Compound Namepropan-2-yl 4-[1-(2-fluoro-4-methylsulfonylphenyl)indol-4-yl]oxypiperidine-1-carboxylate
PubChem CID68846633
Molecular FormulaC24H27FN2O5S
Molecular Weight474.55 g/mol
Exact Mass474.16
IUPAC Namepropan-2-yl 4-[1-(2-fluoro-4-methylsulfonylphenyl)indol-4-yl]oxypiperidine-1-carboxylate
SMILESCC(C)OC(=O)N1CCC(Oc2cccc3c2ccn3-c2ccc(S(C)(=O)=O)cc2F)CC1
InChIInChI=1S/C24H27FN2O5S/c1-16(2)31-24(28)26-12-9-17(10-13-26)32-23-6-4-5-21-19(23)11-14-27(21)22-8-7-18(15-20(22)25)33(3,29)30/h4-8,11,14-17H,9-10,12-13H2,1-3H3
InChIKeyRCKQWWRZVQUCRS-UHFFFAOYSA-N
XLogP4.56
TPSA77.84 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.55
LogP ≤ 54.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-methylpropyl 4-[[1-(2-fluoro-4-methylsulfonylphenyl)-2,3-dihydroindol-4-yl]oxy]piperidine-1-carboxylate
CID 68843270
propan-2-yl 4-[3-(4-methylsulfonylphenyl)phenoxy]piperidine-1-carboxylate
CID 143981454
propan-2-yl 4-[5-ethynyl-6-(2-fluoro-4-methylsulfonylphenoxy)pyrimidin-4-yl]oxypiperidine-1-carboxylate
CID 59856767
propan-2-yl 4-[[1-(5-methylsulfonylpyrimidin-2-yl)-2,3-dihydroindol-4-yl]oxy]piperidine-1-carboxylate
CID 58017007
propan-2-yl 4-[2-[(3S)-1-(2-fluoro-4-methylsulfonylphenyl)pyrrolidin-3-yl]-1,3-thiazol-4-yl]piperidine-1-carboxylate
CID 25066320
propan-2-yl 4-[3-[(3S)-1-(2-fluoro-4-methylsulfonylphenyl)pyrrolidin-3-yl]-1,2,4-oxadiazol-5-yl]piperidine-1-carboxylate
CID 25065889
propan-2-yl 4-[(1S)-1-[5-(2-fluoro-4-methylsulfonylphenyl)pyrazin-2-yl]oxyethyl]piperidine-1-carboxylate
CID 24995896
(2-cyclobutyloxy-5-methylsulfonylphenyl)-[4-(2-fluoro-4-methylsulfonylphenyl)piperazin-1-yl]methanone
CID 69291839
[4-[[2-(2-fluoro-4-methylsulfonylanilino)-3-hydroxy-4-pyridinyl]oxy]piperidin-1-yl] propan-2-yl carbonate
CID 68564988
propan-2-yl 4-[6-(2,5-difluorophenoxy)-5-methylpyrimidin-4-yl]oxypiperidine-1-carboxylate
CID 67540981
propan-2-yl 4-[(2-oxo-1-pyrimidin-5-yl-4-pyridinyl)oxy]piperidine-1-carboxylate
CID 57468424
tert-butyl 4-[[1-(4-methylsulfonylphenyl)-2,3-dihydroindol-4-yl]oxy]piperidine-1-carboxylate
CID 58017000

Frequently Asked Questions

What is the IUPAC name of propan-2-yl 4-[1-(2-fluoro-4-methylsulfonylphenyl)indol-4-yl]oxypiperidine-1-carboxylate?
The IUPAC name of propan-2-yl 4-[1-(2-fluoro-4-methylsulfonylphenyl)indol-4-yl]oxypiperidine-1-carboxylate (CID 68846633) is propan-2-yl 4-[1-(2-fluoro-4-methylsulfonylphenyl)indol-4-yl]oxypiperidine-1-carboxylate.
What is the SMILES notation for propan-2-yl 4-[1-(2-fluoro-4-methylsulfonylphenyl)indol-4-yl]oxypiperidine-1-carboxylate?
The canonical SMILES for propan-2-yl 4-[1-(2-fluoro-4-methylsulfonylphenyl)indol-4-yl]oxypiperidine-1-carboxylate is CC(C)OC(=O)N1CCC(Oc2cccc3c2ccn3-c2ccc(S(C)(=O)=O)cc2F)CC1.
What is the InChIKey of propan-2-yl 4-[1-(2-fluoro-4-methylsulfonylphenyl)indol-4-yl]oxypiperidine-1-carboxylate?
The InChIKey is RCKQWWRZVQUCRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27FN2O5S/c1-16(2)31-24(28)26-12-9-17(10-13-26)32-23-6-4-5-21-19(23)11-14-27(21)22-8-7-18(15-20(22)25)33(3,29)30/h4-8,11,14-17H,9-10,12-13H2,1-3H3.
What are the key properties of propan-2-yl 4-[1-(2-fluoro-4-methylsulfonylphenyl)indol-4-yl]oxypiperidine-1-carboxylate?
propan-2-yl 4-[1-(2-fluoro-4-methylsulfonylphenyl)indol-4-yl]oxypiperidine-1-carboxylate has a molecular weight of 474.55 g/mol, XLogP of 4.56, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 4-[1-(2-fluoro-4-methylsulfonylphenyl)indol-4-yl]oxypiperidine-1-carboxylate is sourced from PubChem (CID 68846633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).