1-[4-[3-(2-methoxypyrimidin-4-yl)oxypiperidin-1-yl]sulfonylphenyl]ethanone

C18H21N3O5S — CID 122261669

IUPAC1-[4-[3-(2-methoxypyrimidin-4-yl)oxypiperidin-1-yl]sulfonylphenyl]ethanone
SMILESCOc1nccc(OC2CCCN(S(=O)(=O)c3ccc(C(C)=O)cc3)C2)n1
InChIInChI=1S/C18H21N3O5S/c1-13(22)14-5-7-16(8-6-14)27(23,24)21-11-3-4-15(12-21)26-17-9-10-19-18(20-17)25-2/h5-10,15H,3-4,11-12H2,1-2H3
InChIKeyXAFXYTSPXHBBIE-UHFFFAOYSA-N
MW391.45 g/mol
LogP1.92
Rot. Bonds6

About 1-[4-[3-(2-methoxypyrimidin-4-yl)oxypiperidin-1-yl]sulfonylphenyl]ethanone

1-[4-[3-(2-methoxypyrimidin-4-yl)oxypiperidin-1-yl]sulfonylphenyl]ethanone (PubChem CID 122261669) has the molecular formula C18H21N3O5S and a molecular weight of 391.45 g/mol. Its IUPAC name is 1-[4-[3-(2-methoxypyrimidin-4-yl)oxypiperidin-1-yl]sulfonylphenyl]ethanone.

Molecular Properties

Compound Name1-[4-[3-(2-methoxypyrimidin-4-yl)oxypiperidin-1-yl]sulfonylphenyl]ethanone
PubChem CID122261669
Molecular FormulaC18H21N3O5S
Molecular Weight391.45 g/mol
Exact Mass391.12
IUPAC Name1-[4-[3-(2-methoxypyrimidin-4-yl)oxypiperidin-1-yl]sulfonylphenyl]ethanone
SMILESCOc1nccc(OC2CCCN(S(=O)(=O)c3ccc(C(C)=O)cc3)C2)n1
InChIInChI=1S/C18H21N3O5S/c1-13(22)14-5-7-16(8-6-14)27(23,24)21-11-3-4-15(12-21)26-17-9-10-19-18(20-17)25-2/h5-10,15H,3-4,11-12H2,1-2H3
InChIKeyXAFXYTSPXHBBIE-UHFFFAOYSA-N
XLogP1.92
TPSA98.69 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.45
LogP ≤ 51.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

2-methoxy-4-[1-(4-methoxyphenyl)sulfonylpiperidin-3-yl]oxypyrimidine
CID 122261630
4-[1-(benzenesulfonyl)piperidin-3-yl]oxy-2-methoxypyrimidine
CID 122261625
4-[1-(4-ethylphenyl)sulfonylpiperidin-3-yl]oxy-2-methoxypyrimidine
CID 122261682
1-[4-[3-(2,6-dimethylpyrimidin-4-yl)oxypiperidin-1-yl]sulfonylphenyl]ethanone
CID 122260596
4-[1-(2,6-difluorophenyl)sulfonylpiperidin-3-yl]oxy-2-methoxypyrimidine
CID 122261674
1-[4-[3-(6-methoxypyridazin-3-yl)oxypyrrolidin-1-yl]sulfonylphenyl]ethanone
CID 90639397
4-[1-(2,5-dimethoxyphenyl)sulfonylpiperidin-3-yl]oxy-2-methoxypyrimidine
CID 122261639
methyl N-[4-[3-(2-methylpyrimidin-4-yl)oxypiperidin-1-yl]sulfonylphenyl]carbamate
CID 122261153
4-[1-(1-ethyl-3,5-dimethylpyrazol-4-yl)sulfonylpiperidin-3-yl]oxy-2-methoxypyrimidine
CID 122261730
(4-bromophenyl)-[3-(2-methoxypyrimidin-4-yl)oxypiperidin-1-yl]methanone
CID 122261283
1-[4-(3-quinoxalin-2-yloxypyrrolidin-1-yl)sulfonylphenyl]ethanone
CID 126850668
1-[3-(2-methoxypyrimidin-4-yl)oxypiperidin-1-yl]-2,2-dimethylpropan-1-one
CID 122261229

Frequently Asked Questions

What is the IUPAC name of 1-[4-[3-(2-methoxypyrimidin-4-yl)oxypiperidin-1-yl]sulfonylphenyl]ethanone?
The IUPAC name of 1-[4-[3-(2-methoxypyrimidin-4-yl)oxypiperidin-1-yl]sulfonylphenyl]ethanone (CID 122261669) is 1-[4-[3-(2-methoxypyrimidin-4-yl)oxypiperidin-1-yl]sulfonylphenyl]ethanone.
What is the SMILES notation for 1-[4-[3-(2-methoxypyrimidin-4-yl)oxypiperidin-1-yl]sulfonylphenyl]ethanone?
The canonical SMILES for 1-[4-[3-(2-methoxypyrimidin-4-yl)oxypiperidin-1-yl]sulfonylphenyl]ethanone is COc1nccc(OC2CCCN(S(=O)(=O)c3ccc(C(C)=O)cc3)C2)n1.
What is the InChIKey of 1-[4-[3-(2-methoxypyrimidin-4-yl)oxypiperidin-1-yl]sulfonylphenyl]ethanone?
The InChIKey is XAFXYTSPXHBBIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O5S/c1-13(22)14-5-7-16(8-6-14)27(23,24)21-11-3-4-15(12-21)26-17-9-10-19-18(20-17)25-2/h5-10,15H,3-4,11-12H2,1-2H3.
What are the key properties of 1-[4-[3-(2-methoxypyrimidin-4-yl)oxypiperidin-1-yl]sulfonylphenyl]ethanone?
1-[4-[3-(2-methoxypyrimidin-4-yl)oxypiperidin-1-yl]sulfonylphenyl]ethanone has a molecular weight of 391.45 g/mol, XLogP of 1.92, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[3-(2-methoxypyrimidin-4-yl)oxypiperidin-1-yl]sulfonylphenyl]ethanone is sourced from PubChem (CID 122261669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).