furan-2-yl-[4-[2-[[6-(4-methylsulfonylphenyl)-3-pyridinyl]oxy]ethyl]piperidin-1-yl]methanone

C24H26N2O5S — CID 142782103

IUPACfuran-2-yl-[4-[2-[[6-(4-methylsulfonylphenyl)-3-pyridinyl]oxy]ethyl]piperidin-1-yl]methanone
SMILESCS(=O)(=O)c1ccc(-c2ccc(OCCC3CCN(C(=O)c4ccco4)CC3)cn2)cc1
InChIInChI=1S/C24H26N2O5S/c1-32(28,29)21-7-4-19(5-8-21)22-9-6-20(17-25-22)30-16-12-18-10-13-26(14-11-18)24(27)23-3-2-15-31-23/h2-9,15,17-18H,10-14,16H2,1H3
InChIKeyTVHUOLBWHUHNNN-UHFFFAOYSA-N
MW454.55 g/mol
LogP4.07
Rot. Bonds7

About furan-2-yl-[4-[2-[[6-(4-methylsulfonylphenyl)-3-pyridinyl]oxy]ethyl]piperidin-1-yl]methanone

furan-2-yl-[4-[2-[[6-(4-methylsulfonylphenyl)-3-pyridinyl]oxy]ethyl]piperidin-1-yl]methanone (PubChem CID 142782103) has the molecular formula C24H26N2O5S and a molecular weight of 454.55 g/mol. Its IUPAC name is furan-2-yl-[4-[2-[[6-(4-methylsulfonylphenyl)-3-pyridinyl]oxy]ethyl]piperidin-1-yl]methanone.

Molecular Properties

Compound Namefuran-2-yl-[4-[2-[[6-(4-methylsulfonylphenyl)-3-pyridinyl]oxy]ethyl]piperidin-1-yl]methanone
PubChem CID142782103
Molecular FormulaC24H26N2O5S
Molecular Weight454.55 g/mol
Exact Mass454.16
IUPAC Namefuran-2-yl-[4-[2-[[6-(4-methylsulfonylphenyl)-3-pyridinyl]oxy]ethyl]piperidin-1-yl]methanone
SMILESCS(=O)(=O)c1ccc(-c2ccc(OCCC3CCN(C(=O)c4ccco4)CC3)cn2)cc1
InChIInChI=1S/C24H26N2O5S/c1-32(28,29)21-7-4-19(5-8-21)22-9-6-20(17-25-22)30-16-12-18-10-13-26(14-11-18)24(27)23-3-2-15-31-23/h2-9,15,17-18H,10-14,16H2,1H3
InChIKeyTVHUOLBWHUHNNN-UHFFFAOYSA-N
XLogP4.07
TPSA89.71 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.55
LogP ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze furan-2-yl-[4-[2-[[6-(4-methylsulfonylphenyl)-3-pyridinyl]oxy]ethyl]piperidin-1-yl]methanone with MolForge

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Related Compounds

furan-2-yl-[4-(2-methoxyethyl)piperidin-1-yl]methanone
CID 53150870
propan-2-yl 4-[(1S)-1-[[6-(4-methylsulfonylphenyl)-3-pyridinyl]oxy]ethyl]piperidine-1-carboxylate
CID 59177825
furan-2-yl-[4-(4-methoxyphenyl)sulfonylpiperidin-1-yl]methanone
CID 90591686
4-[[1-(furan-2-carbonyl)piperidin-4-yl]methoxy]-N-propan-2-ylbenzamide
CID 53150573
furan-2-yl-[4-[[5-(trifluoromethoxy)-2-pyridinyl]amino]piperidin-1-yl]methanone
CID 133489078
(4-methoxyphenyl) 4-[methyl-[[6-(4-methylsulfonylphenyl)-3-pyridinyl]methyl]amino]piperidine-1-carboxylate
CID 25101690
tert-butyl 4-[[6-(4-methylsulfonylphenyl)-3-pyridinyl]methylamino]piperidine-1-carboxylate
CID 25101393
furan-2-yl-[4-[(2-methylphenoxy)methyl]piperidin-1-yl]methanone
CID 110411430
propan-2-yl 4-[[5-(4-methylsulfonylphenyl)pyrazin-2-yl]oxymethyl]piperidine-1-carboxylate
CID 24993713
[4-[[5-(4-methylsulfonylphenyl)-2-pyridinyl]oxymethyl]piperidin-1-yl]-(4-propan-2-yloxyphenyl)methanone
CID 25100924
4-[[6-(4-methylsulfonylphenyl)-3-pyridinyl]methyl-(3,3,3-trifluoropropyl)amino]piperidine-1-carboxylate
CID 154149092
furan-2-yl-(3-methylsulfonylpyrrolidin-1-yl)methanone
CID 71805486

Frequently Asked Questions

What is the IUPAC name of furan-2-yl-[4-[2-[[6-(4-methylsulfonylphenyl)-3-pyridinyl]oxy]ethyl]piperidin-1-yl]methanone?
The IUPAC name of furan-2-yl-[4-[2-[[6-(4-methylsulfonylphenyl)-3-pyridinyl]oxy]ethyl]piperidin-1-yl]methanone (CID 142782103) is furan-2-yl-[4-[2-[[6-(4-methylsulfonylphenyl)-3-pyridinyl]oxy]ethyl]piperidin-1-yl]methanone.
What is the SMILES notation for furan-2-yl-[4-[2-[[6-(4-methylsulfonylphenyl)-3-pyridinyl]oxy]ethyl]piperidin-1-yl]methanone?
The canonical SMILES for furan-2-yl-[4-[2-[[6-(4-methylsulfonylphenyl)-3-pyridinyl]oxy]ethyl]piperidin-1-yl]methanone is CS(=O)(=O)c1ccc(-c2ccc(OCCC3CCN(C(=O)c4ccco4)CC3)cn2)cc1.
What is the InChIKey of furan-2-yl-[4-[2-[[6-(4-methylsulfonylphenyl)-3-pyridinyl]oxy]ethyl]piperidin-1-yl]methanone?
The InChIKey is TVHUOLBWHUHNNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N2O5S/c1-32(28,29)21-7-4-19(5-8-21)22-9-6-20(17-25-22)30-16-12-18-10-13-26(14-11-18)24(27)23-3-2-15-31-23/h2-9,15,17-18H,10-14,16H2,1H3.
What are the key properties of furan-2-yl-[4-[2-[[6-(4-methylsulfonylphenyl)-3-pyridinyl]oxy]ethyl]piperidin-1-yl]methanone?
furan-2-yl-[4-[2-[[6-(4-methylsulfonylphenyl)-3-pyridinyl]oxy]ethyl]piperidin-1-yl]methanone has a molecular weight of 454.55 g/mol, XLogP of 4.07, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for furan-2-yl-[4-[2-[[6-(4-methylsulfonylphenyl)-3-pyridinyl]oxy]ethyl]piperidin-1-yl]methanone is sourced from PubChem (CID 142782103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).