4-[[1-(2-methoxy-5-methylphenyl)sulfonylpiperidin-4-yl]methoxy]-3-methylpyridine

C20H26N2O4S — CID 155801200

IUPAC4-[[1-(2-methoxy-5-methylphenyl)sulfonylpiperidin-4-yl]methoxy]-3-methylpyridine
SMILESCOc1ccc(C)cc1S(=O)(=O)N1CCC(COc2ccncc2C)CC1
InChIInChI=1S/C20H26N2O4S/c1-15-4-5-19(25-3)20(12-15)27(23,24)22-10-7-17(8-11-22)14-26-18-6-9-21-13-16(18)2/h4-6,9,12-13,17H,7-8,10-11,14H2,1-3H3
InChIKeyHBPKCOQZIUUUKF-UHFFFAOYSA-N
MW390.51 g/mol
LogP3.19
Rot. Bonds6

About 4-[[1-(2-methoxy-5-methylphenyl)sulfonylpiperidin-4-yl]methoxy]-3-methylpyridine

4-[[1-(2-methoxy-5-methylphenyl)sulfonylpiperidin-4-yl]methoxy]-3-methylpyridine (PubChem CID 155801200) has the molecular formula C20H26N2O4S and a molecular weight of 390.51 g/mol. Its IUPAC name is 4-[[1-(2-methoxy-5-methylphenyl)sulfonylpiperidin-4-yl]methoxy]-3-methylpyridine.

Molecular Properties

Compound Name4-[[1-(2-methoxy-5-methylphenyl)sulfonylpiperidin-4-yl]methoxy]-3-methylpyridine
PubChem CID155801200
Molecular FormulaC20H26N2O4S
Molecular Weight390.51 g/mol
Exact Mass390.16
IUPAC Name4-[[1-(2-methoxy-5-methylphenyl)sulfonylpiperidin-4-yl]methoxy]-3-methylpyridine
SMILESCOc1ccc(C)cc1S(=O)(=O)N1CCC(COc2ccncc2C)CC1
InChIInChI=1S/C20H26N2O4S/c1-15-4-5-19(25-3)20(12-15)27(23,24)22-10-7-17(8-11-22)14-26-18-6-9-21-13-16(18)2/h4-6,9,12-13,17H,7-8,10-11,14H2,1-3H3
InChIKeyHBPKCOQZIUUUKF-UHFFFAOYSA-N
XLogP3.19
TPSA68.73 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.51
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-[[1-(5-fluoro-2-methoxyphenyl)sulfonylpiperidin-4-yl]methoxy]-3-methylpyridine
CID 155801194
4-[1-(2-methoxy-5-methylphenyl)sulfonylpiperidin-4-yl]pyridine
CID 99844527
1,4-bis[(2-methoxy-5-methylphenyl)sulfonyl]piperazine
CID 1125110
3-chloro-4-[4-[(3-methyl-4-pyridinyl)oxymethyl]piperidin-1-yl]pyridine
CID 155800170
2-cyclopropyl-1-[4-[(3-methyl-4-pyridinyl)oxymethyl]piperidin-1-yl]ethanone
CID 155800227
1-(2-methoxy-5-methylphenyl)sulfonyl-5-methyl-1,4-diazepane
CID 82252101
1-(2-methoxy-5-methylphenyl)sulfonyl-4-methylpiperazine
CID 746471
1-(2-ethoxy-5-methylphenyl)sulfonyl-4-methylpiperidine
CID 47000966
2-[1-(2-methoxy-5-methylphenyl)sulfonylpiperidin-4-yl]oxyquinoxaline
CID 90560122
3-(cyclopropylmethoxy)-4-methoxypyridine
CID 150318193
[1-(2-methoxy-5-methylphenyl)sulfonylpiperidin-3-yl]methanol
CID 43589701
N,N-dimethyl-6-[4-[(3-methyl-4-pyridinyl)oxymethyl]piperidin-1-yl]pyrimidin-4-amine
CID 163343998

Frequently Asked Questions

What is the IUPAC name of 4-[[1-(2-methoxy-5-methylphenyl)sulfonylpiperidin-4-yl]methoxy]-3-methylpyridine?
The IUPAC name of 4-[[1-(2-methoxy-5-methylphenyl)sulfonylpiperidin-4-yl]methoxy]-3-methylpyridine (CID 155801200) is 4-[[1-(2-methoxy-5-methylphenyl)sulfonylpiperidin-4-yl]methoxy]-3-methylpyridine.
What is the SMILES notation for 4-[[1-(2-methoxy-5-methylphenyl)sulfonylpiperidin-4-yl]methoxy]-3-methylpyridine?
The canonical SMILES for 4-[[1-(2-methoxy-5-methylphenyl)sulfonylpiperidin-4-yl]methoxy]-3-methylpyridine is COc1ccc(C)cc1S(=O)(=O)N1CCC(COc2ccncc2C)CC1.
What is the InChIKey of 4-[[1-(2-methoxy-5-methylphenyl)sulfonylpiperidin-4-yl]methoxy]-3-methylpyridine?
The InChIKey is HBPKCOQZIUUUKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O4S/c1-15-4-5-19(25-3)20(12-15)27(23,24)22-10-7-17(8-11-22)14-26-18-6-9-21-13-16(18)2/h4-6,9,12-13,17H,7-8,10-11,14H2,1-3H3.
What are the key properties of 4-[[1-(2-methoxy-5-methylphenyl)sulfonylpiperidin-4-yl]methoxy]-3-methylpyridine?
4-[[1-(2-methoxy-5-methylphenyl)sulfonylpiperidin-4-yl]methoxy]-3-methylpyridine has a molecular weight of 390.51 g/mol, XLogP of 3.19, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[1-(2-methoxy-5-methylphenyl)sulfonylpiperidin-4-yl]methoxy]-3-methylpyridine is sourced from PubChem (CID 155801200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).