2-(2-fluorophenoxy)-1-[4-(furan-2-ylmethylsulfanylmethyl)piperidin-1-yl]ethanone

C19H22FNO3S — CID 71801076

IUPAC2-(2-fluorophenoxy)-1-[4-(furan-2-ylmethylsulfanylmethyl)piperidin-1-yl]ethanone
SMILESO=C(COc1ccccc1F)N1CCC(CSCc2ccco2)CC1
InChIInChI=1S/C19H22FNO3S/c20-17-5-1-2-6-18(17)24-12-19(22)21-9-7-15(8-10-21)13-25-14-16-4-3-11-23-16/h1-6,11,15H,7-10,12-14H2
InChIKeyAMCICRYOHUUVJM-UHFFFAOYSA-N
MW363.45 g/mol
LogP3.97
Rot. Bonds7

About 2-(2-fluorophenoxy)-1-[4-(furan-2-ylmethylsulfanylmethyl)piperidin-1-yl]ethanone

2-(2-fluorophenoxy)-1-[4-(furan-2-ylmethylsulfanylmethyl)piperidin-1-yl]ethanone (PubChem CID 71801076) has the molecular formula C19H22FNO3S and a molecular weight of 363.45 g/mol. Its IUPAC name is 2-(2-fluorophenoxy)-1-[4-(furan-2-ylmethylsulfanylmethyl)piperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-(2-fluorophenoxy)-1-[4-(furan-2-ylmethylsulfanylmethyl)piperidin-1-yl]ethanone
PubChem CID71801076
Molecular FormulaC19H22FNO3S
Molecular Weight363.45 g/mol
Exact Mass363.13
IUPAC Name2-(2-fluorophenoxy)-1-[4-(furan-2-ylmethylsulfanylmethyl)piperidin-1-yl]ethanone
SMILESO=C(COc1ccccc1F)N1CCC(CSCc2ccco2)CC1
InChIInChI=1S/C19H22FNO3S/c20-17-5-1-2-6-18(17)24-12-19(22)21-9-7-15(8-10-21)13-25-14-16-4-3-11-23-16/h1-6,11,15H,7-10,12-14H2
InChIKeyAMCICRYOHUUVJM-UHFFFAOYSA-N
XLogP3.97
TPSA42.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.45
LogP ≤ 53.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-fluorophenoxy)-1-[4-[(4-methoxyphenyl)sulfanylmethyl]piperidin-1-yl]ethanone
CID 71800933
[4-(furan-2-ylmethylsulfanylmethyl)piperidin-1-yl]-(2-methylphenyl)methanone
CID 71801058
1-[(3S)-3-(aminomethyl)pyrrolidin-1-yl]-2-(2-fluorophenoxy)ethanone
CID 124611644
1-(4-cyclopropylpiperazin-1-yl)-2-(2-fluorophenoxy)ethanone
CID 110708570
2-(cyclopropylmethylsulfanylmethyl)furan
CID 131208712
1,3-benzodioxol-5-yl-[4-(furan-2-ylmethylsulfanylmethyl)piperidin-1-yl]methanone
CID 71801062
N-[(4-chlorophenyl)methyl]-4-(furan-2-ylmethylsulfanylmethyl)piperidine-1-carboxamide
CID 71801126
2-(2-aminophenoxy)-1-[4-(hydroxymethyl)piperidin-1-yl]ethanone
CID 43133117
N-(1,3-benzodioxol-5-yl)-4-(furan-2-ylmethylsulfanylmethyl)piperidine-1-carboxamide
CID 71801121
4-(furan-2-ylmethylsulfanylmethyl)-1-methylsulfonylpiperidine
CID 71801136
2-(2-aminophenoxy)-1-(4-ethylpiperidin-1-yl)ethanone
CID 61115282
6-[2-(2-fluorophenoxy)acetyl]-6-azaspiro[2.5]octane-2-carboxylic acid
CID 119175575

Frequently Asked Questions

What is the IUPAC name of 2-(2-fluorophenoxy)-1-[4-(furan-2-ylmethylsulfanylmethyl)piperidin-1-yl]ethanone?
The IUPAC name of 2-(2-fluorophenoxy)-1-[4-(furan-2-ylmethylsulfanylmethyl)piperidin-1-yl]ethanone (CID 71801076) is 2-(2-fluorophenoxy)-1-[4-(furan-2-ylmethylsulfanylmethyl)piperidin-1-yl]ethanone.
What is the SMILES notation for 2-(2-fluorophenoxy)-1-[4-(furan-2-ylmethylsulfanylmethyl)piperidin-1-yl]ethanone?
The canonical SMILES for 2-(2-fluorophenoxy)-1-[4-(furan-2-ylmethylsulfanylmethyl)piperidin-1-yl]ethanone is O=C(COc1ccccc1F)N1CCC(CSCc2ccco2)CC1.
What is the InChIKey of 2-(2-fluorophenoxy)-1-[4-(furan-2-ylmethylsulfanylmethyl)piperidin-1-yl]ethanone?
The InChIKey is AMCICRYOHUUVJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22FNO3S/c20-17-5-1-2-6-18(17)24-12-19(22)21-9-7-15(8-10-21)13-25-14-16-4-3-11-23-16/h1-6,11,15H,7-10,12-14H2.
What are the key properties of 2-(2-fluorophenoxy)-1-[4-(furan-2-ylmethylsulfanylmethyl)piperidin-1-yl]ethanone?
2-(2-fluorophenoxy)-1-[4-(furan-2-ylmethylsulfanylmethyl)piperidin-1-yl]ethanone has a molecular weight of 363.45 g/mol, XLogP of 3.97, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluorophenoxy)-1-[4-(furan-2-ylmethylsulfanylmethyl)piperidin-1-yl]ethanone is sourced from PubChem (CID 71801076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).