2-methoxy-4-[1-(2-phenoxyethylsulfonyl)piperidin-4-yl]oxypyrimidine

C18H23N3O5S — CID 121161723

IUPAC2-methoxy-4-[1-(2-phenoxyethylsulfonyl)piperidin-4-yl]oxypyrimidine
SMILESCOc1nccc(OC2CCN(S(=O)(=O)CCOc3ccccc3)CC2)n1
InChIInChI=1S/C18H23N3O5S/c1-24-18-19-10-7-17(20-18)26-16-8-11-21(12-9-16)27(22,23)14-13-25-15-5-3-2-4-6-15/h2-7,10,16H,8-9,11-14H2,1H3
InChIKeyYUIHGAYLWZQXML-UHFFFAOYSA-N
MW393.47 g/mol
LogP1.74
Rot. Bonds8

About 2-methoxy-4-[1-(2-phenoxyethylsulfonyl)piperidin-4-yl]oxypyrimidine

2-methoxy-4-[1-(2-phenoxyethylsulfonyl)piperidin-4-yl]oxypyrimidine (PubChem CID 121161723) has the molecular formula C18H23N3O5S and a molecular weight of 393.47 g/mol. Its IUPAC name is 2-methoxy-4-[1-(2-phenoxyethylsulfonyl)piperidin-4-yl]oxypyrimidine.

Molecular Properties

Compound Name2-methoxy-4-[1-(2-phenoxyethylsulfonyl)piperidin-4-yl]oxypyrimidine
PubChem CID121161723
Molecular FormulaC18H23N3O5S
Molecular Weight393.47 g/mol
Exact Mass393.14
IUPAC Name2-methoxy-4-[1-(2-phenoxyethylsulfonyl)piperidin-4-yl]oxypyrimidine
SMILESCOc1nccc(OC2CCN(S(=O)(=O)CCOc3ccccc3)CC2)n1
InChIInChI=1S/C18H23N3O5S/c1-24-18-19-10-7-17(20-18)26-16-8-11-21(12-9-16)27(22,23)14-13-25-15-5-3-2-4-6-15/h2-7,10,16H,8-9,11-14H2,1H3
InChIKeyYUIHGAYLWZQXML-UHFFFAOYSA-N
XLogP1.74
TPSA90.85 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.47
LogP ≤ 51.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

2-methyl-4-[1-(2-phenoxyethylsulfonyl)piperidin-4-yl]oxypyrimidine
CID 121162874
2-methoxy-4-[1-(3-methoxyphenyl)sulfonylpiperidin-4-yl]oxypyrimidine
CID 121161670
2-methyl-4-[1-(2-phenoxyethylsulfonyl)piperidin-3-yl]oxypyrimidine
CID 122261143
2-[4-[4-(2-methoxypyrimidin-4-yl)oxypiperidin-1-yl]sulfonylphenoxy]acetamide
CID 121161744
3-methyl-6-[1-(2-phenoxyethylsulfonyl)pyrrolidin-3-yl]oxypyridazine
CID 91627446
2-methoxy-4-[1-(2,4,6-trimethylphenyl)sulfonylpiperidin-4-yl]oxypyrimidine
CID 121161640
1-[4-(2-methoxypyrimidin-4-yl)oxypiperidin-1-yl]-2-phenoxypropan-1-one
CID 121161322
2-methoxy-4-[1-(4-propylphenyl)sulfonylpiperidin-4-yl]oxypyrimidine
CID 121161690
4-[1-(benzenesulfonyl)piperidin-3-yl]oxy-2-methoxypyrimidine
CID 122261625
1-[4-(2-methoxypyrimidin-4-yl)oxypiperidin-1-yl]-3,3-diphenylpropan-1-one
CID 121161350
1-[4-(2-methoxypyrimidin-4-yl)oxypiperidin-1-yl]-2,2-diphenylethanone
CID 121161345
2-[1-(2-phenoxyethylsulfonyl)azetidin-3-yl]oxyquinoline
CID 122250690

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-4-[1-(2-phenoxyethylsulfonyl)piperidin-4-yl]oxypyrimidine?
The IUPAC name of 2-methoxy-4-[1-(2-phenoxyethylsulfonyl)piperidin-4-yl]oxypyrimidine (CID 121161723) is 2-methoxy-4-[1-(2-phenoxyethylsulfonyl)piperidin-4-yl]oxypyrimidine.
What is the SMILES notation for 2-methoxy-4-[1-(2-phenoxyethylsulfonyl)piperidin-4-yl]oxypyrimidine?
The canonical SMILES for 2-methoxy-4-[1-(2-phenoxyethylsulfonyl)piperidin-4-yl]oxypyrimidine is COc1nccc(OC2CCN(S(=O)(=O)CCOc3ccccc3)CC2)n1.
What is the InChIKey of 2-methoxy-4-[1-(2-phenoxyethylsulfonyl)piperidin-4-yl]oxypyrimidine?
The InChIKey is YUIHGAYLWZQXML-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O5S/c1-24-18-19-10-7-17(20-18)26-16-8-11-21(12-9-16)27(22,23)14-13-25-15-5-3-2-4-6-15/h2-7,10,16H,8-9,11-14H2,1H3.
What are the key properties of 2-methoxy-4-[1-(2-phenoxyethylsulfonyl)piperidin-4-yl]oxypyrimidine?
2-methoxy-4-[1-(2-phenoxyethylsulfonyl)piperidin-4-yl]oxypyrimidine has a molecular weight of 393.47 g/mol, XLogP of 1.74, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-4-[1-(2-phenoxyethylsulfonyl)piperidin-4-yl]oxypyrimidine is sourced from PubChem (CID 121161723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).