1-[4-[4-(4-methoxyphenoxy)piperidin-1-yl]sulfonylphenyl]ethanone

C20H23NO5S — CID 23607733

IUPAC1-[4-[4-(4-methoxyphenoxy)piperidin-1-yl]sulfonylphenyl]ethanone
SMILESCOc1ccc(OC2CCN(S(=O)(=O)c3ccc(C(C)=O)cc3)CC2)cc1
InChIInChI=1S/C20H23NO5S/c1-15(22)16-3-9-20(10-4-16)27(23,24)21-13-11-19(12-14-21)26-18-7-5-17(25-2)6-8-18/h3-10,19H,11-14H2,1-2H3
InChIKeyIOIOXUXMXNAIOP-UHFFFAOYSA-N
MW389.47 g/mol
LogP3.13
Rot. Bonds6

About 1-[4-[4-(4-methoxyphenoxy)piperidin-1-yl]sulfonylphenyl]ethanone

1-[4-[4-(4-methoxyphenoxy)piperidin-1-yl]sulfonylphenyl]ethanone (PubChem CID 23607733) has the molecular formula C20H23NO5S and a molecular weight of 389.47 g/mol. Its IUPAC name is 1-[4-[4-(4-methoxyphenoxy)piperidin-1-yl]sulfonylphenyl]ethanone.

Molecular Properties

Compound Name1-[4-[4-(4-methoxyphenoxy)piperidin-1-yl]sulfonylphenyl]ethanone
PubChem CID23607733
Molecular FormulaC20H23NO5S
Molecular Weight389.47 g/mol
Exact Mass389.13
IUPAC Name1-[4-[4-(4-methoxyphenoxy)piperidin-1-yl]sulfonylphenyl]ethanone
SMILESCOc1ccc(OC2CCN(S(=O)(=O)c3ccc(C(C)=O)cc3)CC2)cc1
InChIInChI=1S/C20H23NO5S/c1-15(22)16-3-9-20(10-4-16)27(23,24)21-13-11-19(12-14-21)26-18-7-5-17(25-2)6-8-18/h3-10,19H,11-14H2,1-2H3
InChIKeyIOIOXUXMXNAIOP-UHFFFAOYSA-N
XLogP3.13
TPSA72.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.47
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(2,5-Dimethoxyphenyl)methyl 3-piperidin-1-ylsulfonylbenzoate
CID 8857900
1-[4-[4-(2-Phenoxyethyl)piperazin-1-yl]sulfonylphenyl]ethanone
CID 9337786
2-[4-[4-(Trifluoromethoxy)phenoxy]piperidinosulfonyl]benzohydroximic acid
CID 9868858
2-(4-Methoxyphenoxy)ethyl 4-fluoro-3-morpholin-4-ylsulfonylbenzoate
CID 2640648
1-(4-Methoxyphenyl)-2-[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-yl]ethanone
CID 5087274
1'-(Benzenesulfonyl)-3,4-dihydrospiro[1-benzopyran-2,4'-piperidine]-4-one
CID 7260661
2-(4-Methylphenoxy)ethyl 3-(2,6-dimethylmorpholin-4-yl)sulfonylbenzoate
CID 16229063
4-(4-Acetylphenoxy)-1-[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-yl]butan-1-one
CID 24979680
2-(4-Methoxyphenyl)acetic acid [2-keto-2-(4-piperidinosulfonylphenyl)ethyl] ester
CID 25163176
4-[4-[3-(4-Hexanoylphenoxy)propyl]piperazin-1-yl]sulfonylbenzonitrile
CID 44304990
1'-(4-Methoxybenzenesulfonyl)-3,4-dihydrospiro[1-benzopyran-2,4'-piperidine]-4-one
CID 7260666
4-Methoxyphenyl 3-(1-pyrrolidinylsulfonyl)benzoate
CID 1310291

Frequently Asked Questions

What is the IUPAC name of 1-[4-[4-(4-methoxyphenoxy)piperidin-1-yl]sulfonylphenyl]ethanone?
The IUPAC name of 1-[4-[4-(4-methoxyphenoxy)piperidin-1-yl]sulfonylphenyl]ethanone (CID 23607733) is 1-[4-[4-(4-methoxyphenoxy)piperidin-1-yl]sulfonylphenyl]ethanone.
What is the SMILES notation for 1-[4-[4-(4-methoxyphenoxy)piperidin-1-yl]sulfonylphenyl]ethanone?
The canonical SMILES for 1-[4-[4-(4-methoxyphenoxy)piperidin-1-yl]sulfonylphenyl]ethanone is COc1ccc(OC2CCN(S(=O)(=O)c3ccc(C(C)=O)cc3)CC2)cc1.
What is the InChIKey of 1-[4-[4-(4-methoxyphenoxy)piperidin-1-yl]sulfonylphenyl]ethanone?
The InChIKey is IOIOXUXMXNAIOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO5S/c1-15(22)16-3-9-20(10-4-16)27(23,24)21-13-11-19(12-14-21)26-18-7-5-17(25-2)6-8-18/h3-10,19H,11-14H2,1-2H3.
What are the key properties of 1-[4-[4-(4-methoxyphenoxy)piperidin-1-yl]sulfonylphenyl]ethanone?
1-[4-[4-(4-methoxyphenoxy)piperidin-1-yl]sulfonylphenyl]ethanone has a molecular weight of 389.47 g/mol, XLogP of 3.13, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[4-(4-methoxyphenoxy)piperidin-1-yl]sulfonylphenyl]ethanone is sourced from PubChem (CID 23607733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).