2-[1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]oxypyrimidine

C16H19N3O4S — CID 90558874

IUPAC2-[1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]oxypyrimidine
SMILESCOc1ccc(S(=O)(=O)N2CCC(Oc3ncccn3)CC2)cc1
InChIInChI=1S/C16H19N3O4S/c1-22-13-3-5-15(6-4-13)24(20,21)19-11-7-14(8-12-19)23-16-17-9-2-10-18-16/h2-6,9-10,14H,7-8,11-12H2,1H3
InChIKeyCPUDOHBABNRCNX-UHFFFAOYSA-N
MW349.41 g/mol
LogP1.72
Rot. Bonds5

About 2-[1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]oxypyrimidine

2-[1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]oxypyrimidine (PubChem CID 90558874) has the molecular formula C16H19N3O4S and a molecular weight of 349.41 g/mol. Its IUPAC name is 2-[1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]oxypyrimidine.

Molecular Properties

Compound Name2-[1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]oxypyrimidine
PubChem CID90558874
Molecular FormulaC16H19N3O4S
Molecular Weight349.41 g/mol
Exact Mass349.11
IUPAC Name2-[1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]oxypyrimidine
SMILESCOc1ccc(S(=O)(=O)N2CCC(Oc3ncccn3)CC2)cc1
InChIInChI=1S/C16H19N3O4S/c1-22-13-3-5-15(6-4-13)24(20,21)19-11-7-14(8-12-19)23-16-17-9-2-10-18-16/h2-6,9-10,14H,7-8,11-12H2,1H3
InChIKeyCPUDOHBABNRCNX-UHFFFAOYSA-N
XLogP1.72
TPSA81.62 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.41
LogP ≤ 51.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-[1-(4-ethoxyphenyl)sulfonylpiperidin-4-yl]oxypyrimidine
CID 90558894
5-methoxy-2-[1-(4-pyrazol-1-ylphenyl)sulfonylpiperidin-4-yl]oxypyrimidine
CID 154581921
2-methoxy-4-[1-(3-methoxyphenyl)sulfonylpiperidin-4-yl]oxypyrimidine
CID 121161670
2-[4-[4-(2-methoxypyrimidin-4-yl)oxypiperidin-1-yl]sulfonylphenoxy]acetamide
CID 121161744
1-(4-methoxyphenyl)sulfonyl-4-(2-methylpropoxy)piperidine
CID 87024962
3-[1-(3-methoxyphenyl)sulfonylpiperidin-4-yl]oxypyridine
CID 90566188
2-methoxy-4-[1-(4-propylphenyl)sulfonylpiperidin-4-yl]oxypyrimidine
CID 121161690
1-[4-(4-methoxyphenyl)phenyl]sulfonyl-4-methylpiperidine
CID 66486087
2-methoxy-4-[1-(4-methoxyphenyl)sulfonylpiperidin-3-yl]oxypyrimidine
CID 122261630
3-[1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]-2-methylimidazo[4,5-b]pyridine
CID 46344225
1-[4-(4-methoxyphenyl)phenyl]sulfonyl-4-(triazol-2-yl)piperidine
CID 121165211
2-methyl-8-(4-pyrimidin-2-yloxypiperidin-1-yl)sulfonylquinoline
CID 90558898

Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]oxypyrimidine?
The IUPAC name of 2-[1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]oxypyrimidine (CID 90558874) is 2-[1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]oxypyrimidine.
What is the SMILES notation for 2-[1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]oxypyrimidine?
The canonical SMILES for 2-[1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]oxypyrimidine is COc1ccc(S(=O)(=O)N2CCC(Oc3ncccn3)CC2)cc1.
What is the InChIKey of 2-[1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]oxypyrimidine?
The InChIKey is CPUDOHBABNRCNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O4S/c1-22-13-3-5-15(6-4-13)24(20,21)19-11-7-14(8-12-19)23-16-17-9-2-10-18-16/h2-6,9-10,14H,7-8,11-12H2,1H3.
What are the key properties of 2-[1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]oxypyrimidine?
2-[1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]oxypyrimidine has a molecular weight of 349.41 g/mol, XLogP of 1.72, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]oxypyrimidine is sourced from PubChem (CID 90558874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).