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

C19H25N3O4S — CID 121161690

IUPAC2-methoxy-4-[1-(4-propylphenyl)sulfonylpiperidin-4-yl]oxypyrimidine
SMILESCCCc1ccc(S(=O)(=O)N2CCC(Oc3ccnc(OC)n3)CC2)cc1
InChIInChI=1S/C19H25N3O4S/c1-3-4-15-5-7-17(8-6-15)27(23,24)22-13-10-16(11-14-22)26-18-9-12-20-19(21-18)25-2/h5-9,12,16H,3-4,10-11,13-14H2,1-2H3
InChIKeyYEUWTNDRIBVHQO-UHFFFAOYSA-N
MW391.49 g/mol
LogP2.67
Rot. Bonds7

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

2-methoxy-4-[1-(4-propylphenyl)sulfonylpiperidin-4-yl]oxypyrimidine (PubChem CID 121161690) has the molecular formula C19H25N3O4S and a molecular weight of 391.49 g/mol. Its IUPAC name is 2-methoxy-4-[1-(4-propylphenyl)sulfonylpiperidin-4-yl]oxypyrimidine.

Molecular Properties

Compound Name2-methoxy-4-[1-(4-propylphenyl)sulfonylpiperidin-4-yl]oxypyrimidine
PubChem CID121161690
Molecular FormulaC19H25N3O4S
Molecular Weight391.49 g/mol
Exact Mass391.16
IUPAC Name2-methoxy-4-[1-(4-propylphenyl)sulfonylpiperidin-4-yl]oxypyrimidine
SMILESCCCc1ccc(S(=O)(=O)N2CCC(Oc3ccnc(OC)n3)CC2)cc1
InChIInChI=1S/C19H25N3O4S/c1-3-4-15-5-7-17(8-6-15)27(23,24)22-13-10-16(11-14-22)26-18-9-12-20-19(21-18)25-2/h5-9,12,16H,3-4,10-11,13-14H2,1-2H3
InChIKeyYEUWTNDRIBVHQO-UHFFFAOYSA-N
XLogP2.67
TPSA81.62 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.49
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-[4-[4-(2-methoxypyrimidin-4-yl)oxypiperidin-1-yl]sulfonylphenoxy]acetamide
CID 121161744
4-[1-(4-ethylphenyl)sulfonylpiperidin-3-yl]oxy-2-methoxypyrimidine
CID 122261682
2-methoxy-4-[1-(3-methoxyphenyl)sulfonylpiperidin-4-yl]oxypyrimidine
CID 121161670
4-[1-(3-fluoro-4-methoxyphenyl)sulfonylpiperidin-4-yl]oxy-2-methoxypyrimidine
CID 121161710
2-methoxy-4-[1-(2,4,6-trimethylphenyl)sulfonylpiperidin-4-yl]oxypyrimidine
CID 121161640
2-methoxy-3-[1-(4-propylphenyl)sulfonylpyrrolidin-3-yl]oxypyrazine
CID 90637218
2-methoxy-4-[1-(4-methoxyphenyl)sulfonylpiperidin-3-yl]oxypyrimidine
CID 122261630
2-[1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]oxypyrimidine
CID 90558874
4-[1-(benzenesulfonyl)piperidin-3-yl]oxy-2-methoxypyrimidine
CID 122261625
4-[1-(5-chloro-2-methoxyphenyl)sulfonylpiperidin-4-yl]oxy-2-methoxypyrimidine
CID 121161732
4-[1-[1-(4-propylphenyl)sulfonylpiperidin-4-yl]piperidin-4-yl]oxypyridine
CID 90617485
2-methoxy-4-[1-(2-phenoxyethylsulfonyl)piperidin-4-yl]oxypyrimidine
CID 121161723

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-4-[1-(4-propylphenyl)sulfonylpiperidin-4-yl]oxypyrimidine?
The IUPAC name of 2-methoxy-4-[1-(4-propylphenyl)sulfonylpiperidin-4-yl]oxypyrimidine (CID 121161690) is 2-methoxy-4-[1-(4-propylphenyl)sulfonylpiperidin-4-yl]oxypyrimidine.
What is the SMILES notation for 2-methoxy-4-[1-(4-propylphenyl)sulfonylpiperidin-4-yl]oxypyrimidine?
The canonical SMILES for 2-methoxy-4-[1-(4-propylphenyl)sulfonylpiperidin-4-yl]oxypyrimidine is CCCc1ccc(S(=O)(=O)N2CCC(Oc3ccnc(OC)n3)CC2)cc1.
What is the InChIKey of 2-methoxy-4-[1-(4-propylphenyl)sulfonylpiperidin-4-yl]oxypyrimidine?
The InChIKey is YEUWTNDRIBVHQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O4S/c1-3-4-15-5-7-17(8-6-15)27(23,24)22-13-10-16(11-14-22)26-18-9-12-20-19(21-18)25-2/h5-9,12,16H,3-4,10-11,13-14H2,1-2H3.
What are the key properties of 2-methoxy-4-[1-(4-propylphenyl)sulfonylpiperidin-4-yl]oxypyrimidine?
2-methoxy-4-[1-(4-propylphenyl)sulfonylpiperidin-4-yl]oxypyrimidine has a molecular weight of 391.49 g/mol, XLogP of 2.67, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-4-[1-(4-propylphenyl)sulfonylpiperidin-4-yl]oxypyrimidine is sourced from PubChem (CID 121161690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).