2-(2-fluorophenoxy)-1-[4-[(4-methoxyphenyl)sulfanylmethyl]piperidin-1-yl]ethanone

C21H24FNO3S — CID 71800933

IUPAC2-(2-fluorophenoxy)-1-[4-[(4-methoxyphenyl)sulfanylmethyl]piperidin-1-yl]ethanone
SMILESCOc1ccc(SCC2CCN(C(=O)COc3ccccc3F)CC2)cc1
InChIInChI=1S/C21H24FNO3S/c1-25-17-6-8-18(9-7-17)27-15-16-10-12-23(13-11-16)21(24)14-26-20-5-3-2-4-19(20)22/h2-9,16H,10-15H2,1H3
InChIKeyWPYMEWAIFOZROL-UHFFFAOYSA-N
MW389.49 g/mol
LogP4.24
Rot. Bonds7

About 2-(2-fluorophenoxy)-1-[4-[(4-methoxyphenyl)sulfanylmethyl]piperidin-1-yl]ethanone

2-(2-fluorophenoxy)-1-[4-[(4-methoxyphenyl)sulfanylmethyl]piperidin-1-yl]ethanone (PubChem CID 71800933) has the molecular formula C21H24FNO3S and a molecular weight of 389.49 g/mol. Its IUPAC name is 2-(2-fluorophenoxy)-1-[4-[(4-methoxyphenyl)sulfanylmethyl]piperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-(2-fluorophenoxy)-1-[4-[(4-methoxyphenyl)sulfanylmethyl]piperidin-1-yl]ethanone
PubChem CID71800933
Molecular FormulaC21H24FNO3S
Molecular Weight389.49 g/mol
Exact Mass389.15
IUPAC Name2-(2-fluorophenoxy)-1-[4-[(4-methoxyphenyl)sulfanylmethyl]piperidin-1-yl]ethanone
SMILESCOc1ccc(SCC2CCN(C(=O)COc3ccccc3F)CC2)cc1
InChIInChI=1S/C21H24FNO3S/c1-25-17-6-8-18(9-7-17)27-15-16-10-12-23(13-11-16)21(24)14-26-20-5-3-2-4-19(20)22/h2-9,16H,10-15H2,1H3
InChIKeyWPYMEWAIFOZROL-UHFFFAOYSA-N
XLogP4.24
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.49
LogP ≤ 54.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-fluorophenyl)sulfanyl-1-[4-[(4-methoxyphenyl)sulfanylmethyl]piperidin-1-yl]ethanone
CID 71800950
2-ethoxy-1-[4-[(4-methoxyphenyl)sulfanylmethyl]piperidin-1-yl]ethanone
CID 71800916
2-(2-fluorophenoxy)-1-[4-(furan-2-ylmethylsulfanylmethyl)piperidin-1-yl]ethanone
CID 71801076
1-[(3S)-3-(aminomethyl)pyrrolidin-1-yl]-2-(2-fluorophenoxy)ethanone
CID 124611644
1-(4-cyclopropylpiperazin-1-yl)-2-(2-fluorophenoxy)ethanone
CID 110708570
1-(4-benzylpiperidin-1-yl)-2-(4-methoxyphenoxy)ethanone
CID 740892
5-[4-[2-(2-fluorophenoxy)acetyl]piperazine-1-carbonyl]pyrrolidin-2-one
CID 110804418
1-(4-aminopiperidin-1-yl)-2-(4-methoxyphenoxy)ethanone
CID 82042591
(E)-3-(3,4-dimethoxyphenyl)-1-[4-[(4-methoxyphenyl)sulfanylmethyl]piperidin-1-yl]prop-2-en-1-one
CID 71800928
1-[4-[2-(2-fluorophenoxy)ethyl]piperidin-1-yl]ethanone
CID 53150747
[4-[(4-methoxyphenyl)sulfanylmethyl]piperidin-1-yl]-(5-methyl-1,2-oxazol-3-yl)methanone
CID 71800952
2-(2-fluorophenoxy)-1-[3-(6-methoxypyrazin-2-yl)oxypyrrolidin-1-yl]ethanone
CID 90637391

Frequently Asked Questions

What is the IUPAC name of 2-(2-fluorophenoxy)-1-[4-[(4-methoxyphenyl)sulfanylmethyl]piperidin-1-yl]ethanone?
The IUPAC name of 2-(2-fluorophenoxy)-1-[4-[(4-methoxyphenyl)sulfanylmethyl]piperidin-1-yl]ethanone (CID 71800933) is 2-(2-fluorophenoxy)-1-[4-[(4-methoxyphenyl)sulfanylmethyl]piperidin-1-yl]ethanone.
What is the SMILES notation for 2-(2-fluorophenoxy)-1-[4-[(4-methoxyphenyl)sulfanylmethyl]piperidin-1-yl]ethanone?
The canonical SMILES for 2-(2-fluorophenoxy)-1-[4-[(4-methoxyphenyl)sulfanylmethyl]piperidin-1-yl]ethanone is COc1ccc(SCC2CCN(C(=O)COc3ccccc3F)CC2)cc1.
What is the InChIKey of 2-(2-fluorophenoxy)-1-[4-[(4-methoxyphenyl)sulfanylmethyl]piperidin-1-yl]ethanone?
The InChIKey is WPYMEWAIFOZROL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24FNO3S/c1-25-17-6-8-18(9-7-17)27-15-16-10-12-23(13-11-16)21(24)14-26-20-5-3-2-4-19(20)22/h2-9,16H,10-15H2,1H3.
What are the key properties of 2-(2-fluorophenoxy)-1-[4-[(4-methoxyphenyl)sulfanylmethyl]piperidin-1-yl]ethanone?
2-(2-fluorophenoxy)-1-[4-[(4-methoxyphenyl)sulfanylmethyl]piperidin-1-yl]ethanone has a molecular weight of 389.49 g/mol, XLogP of 4.24, 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-[(4-methoxyphenyl)sulfanylmethyl]piperidin-1-yl]ethanone is sourced from PubChem (CID 71800933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).