2-methoxy-4-[1-(4-methoxyphenyl)sulfonylpiperidin-3-yl]oxypyrimidine

C17H21N3O5S — CID 122261630

IUPAC2-methoxy-4-[1-(4-methoxyphenyl)sulfonylpiperidin-3-yl]oxypyrimidine
SMILESCOc1ccc(S(=O)(=O)N2CCCC(Oc3ccnc(OC)n3)C2)cc1
InChIInChI=1S/C17H21N3O5S/c1-23-13-5-7-15(8-6-13)26(21,22)20-11-3-4-14(12-20)25-16-9-10-18-17(19-16)24-2/h5-10,14H,3-4,11-12H2,1-2H3
InChIKeyVQDZWOMWPBDLMR-UHFFFAOYSA-N
MW379.44 g/mol
LogP1.73
Rot. Bonds6

About 2-methoxy-4-[1-(4-methoxyphenyl)sulfonylpiperidin-3-yl]oxypyrimidine

2-methoxy-4-[1-(4-methoxyphenyl)sulfonylpiperidin-3-yl]oxypyrimidine (PubChem CID 122261630) has the molecular formula C17H21N3O5S and a molecular weight of 379.44 g/mol. Its IUPAC name is 2-methoxy-4-[1-(4-methoxyphenyl)sulfonylpiperidin-3-yl]oxypyrimidine.

Molecular Properties

Compound Name2-methoxy-4-[1-(4-methoxyphenyl)sulfonylpiperidin-3-yl]oxypyrimidine
PubChem CID122261630
Molecular FormulaC17H21N3O5S
Molecular Weight379.44 g/mol
Exact Mass379.12
IUPAC Name2-methoxy-4-[1-(4-methoxyphenyl)sulfonylpiperidin-3-yl]oxypyrimidine
SMILESCOc1ccc(S(=O)(=O)N2CCCC(Oc3ccnc(OC)n3)C2)cc1
InChIInChI=1S/C17H21N3O5S/c1-23-13-5-7-15(8-6-13)26(21,22)20-11-3-4-14(12-20)25-16-9-10-18-17(19-16)24-2/h5-10,14H,3-4,11-12H2,1-2H3
InChIKeyVQDZWOMWPBDLMR-UHFFFAOYSA-N
XLogP1.73
TPSA90.85 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.44
LogP ≤ 51.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

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-methoxypyrimidin-4-yl)oxypiperidin-1-yl]sulfonylphenyl]ethanone
CID 122261669
4-[1-(2,5-dimethoxyphenyl)sulfonylpiperidin-3-yl]oxy-2-methoxypyrimidine
CID 122261639
4-[1-(2,6-difluorophenyl)sulfonylpiperidin-3-yl]oxy-2-methoxypyrimidine
CID 122261674
4-[1-(1-ethyl-3,5-dimethylpyrazol-4-yl)sulfonylpiperidin-3-yl]oxy-2-methoxypyrimidine
CID 122261730
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
methyl N-[4-[3-(2-methylpyrimidin-4-yl)oxypiperidin-1-yl]sulfonylphenyl]carbamate
CID 122261153
2-methoxy-4-[1-(4-propylphenyl)sulfonylpiperidin-4-yl]oxypyrimidine
CID 121161690
2-[1-(4-tert-butylphenyl)sulfonylpiperidin-3-yl]oxypyrimidine
CID 122257613
N-[(4-methoxyphenyl)methyl]-3-(2-methoxypyrimidin-4-yl)oxypiperidine-1-carboxamide
CID 122261595

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-4-[1-(4-methoxyphenyl)sulfonylpiperidin-3-yl]oxypyrimidine?
The IUPAC name of 2-methoxy-4-[1-(4-methoxyphenyl)sulfonylpiperidin-3-yl]oxypyrimidine (CID 122261630) is 2-methoxy-4-[1-(4-methoxyphenyl)sulfonylpiperidin-3-yl]oxypyrimidine.
What is the SMILES notation for 2-methoxy-4-[1-(4-methoxyphenyl)sulfonylpiperidin-3-yl]oxypyrimidine?
The canonical SMILES for 2-methoxy-4-[1-(4-methoxyphenyl)sulfonylpiperidin-3-yl]oxypyrimidine is COc1ccc(S(=O)(=O)N2CCCC(Oc3ccnc(OC)n3)C2)cc1.
What is the InChIKey of 2-methoxy-4-[1-(4-methoxyphenyl)sulfonylpiperidin-3-yl]oxypyrimidine?
The InChIKey is VQDZWOMWPBDLMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O5S/c1-23-13-5-7-15(8-6-13)26(21,22)20-11-3-4-14(12-20)25-16-9-10-18-17(19-16)24-2/h5-10,14H,3-4,11-12H2,1-2H3.
What are the key properties of 2-methoxy-4-[1-(4-methoxyphenyl)sulfonylpiperidin-3-yl]oxypyrimidine?
2-methoxy-4-[1-(4-methoxyphenyl)sulfonylpiperidin-3-yl]oxypyrimidine has a molecular weight of 379.44 g/mol, XLogP of 1.73, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-4-[1-(4-methoxyphenyl)sulfonylpiperidin-3-yl]oxypyrimidine is sourced from PubChem (CID 122261630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).