1-(2,5-dimethoxyphenyl)sulfonyl-3-(4-methyl-1H-pyrazol-5-yl)piperidine

C17H23N3O4S — CID 45178348

IUPAC1-(2,5-dimethoxyphenyl)sulfonyl-3-(4-methyl-1H-pyrazol-5-yl)piperidine
SMILESCOc1ccc(OC)c(S(=O)(=O)N2CCCC(c3[nH]ncc3C)C2)c1
InChIInChI=1S/C17H23N3O4S/c1-12-10-18-19-17(12)13-5-4-8-20(11-13)25(21,22)16-9-14(23-2)6-7-15(16)24-3/h6-7,9-10,13H,4-5,8,11H2,1-3H3,(H,18,19)
InChIKeyOWFNFCCWABRFNC-UHFFFAOYSA-N
MW365.46 g/mol
LogP2.30
Rot. Bonds5

About 1-(2,5-dimethoxyphenyl)sulfonyl-3-(4-methyl-1H-pyrazol-5-yl)piperidine

1-(2,5-dimethoxyphenyl)sulfonyl-3-(4-methyl-1H-pyrazol-5-yl)piperidine (PubChem CID 45178348) has the molecular formula C17H23N3O4S and a molecular weight of 365.46 g/mol. Its IUPAC name is 1-(2,5-dimethoxyphenyl)sulfonyl-3-(4-methyl-1H-pyrazol-5-yl)piperidine.

Molecular Properties

Compound Name1-(2,5-dimethoxyphenyl)sulfonyl-3-(4-methyl-1H-pyrazol-5-yl)piperidine
PubChem CID45178348
Molecular FormulaC17H23N3O4S
Molecular Weight365.46 g/mol
Exact Mass365.14
IUPAC Name1-(2,5-dimethoxyphenyl)sulfonyl-3-(4-methyl-1H-pyrazol-5-yl)piperidine
SMILESCOc1ccc(OC)c(S(=O)(=O)N2CCCC(c3[nH]ncc3C)C2)c1
InChIInChI=1S/C17H23N3O4S/c1-12-10-18-19-17(12)13-5-4-8-20(11-13)25(21,22)16-9-14(23-2)6-7-15(16)24-3/h6-7,9-10,13H,4-5,8,11H2,1-3H3,(H,18,19)
InChIKeyOWFNFCCWABRFNC-UHFFFAOYSA-N
XLogP2.30
TPSA84.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.46
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2,5-dimethoxyphenyl)sulfonyl-3-(4-methoxyphenyl)azepane
CID 121147234
1-(2,5-dimethoxyphenyl)sulfonyl-N-methylpiperidin-3-amine
CID 62534672
4-methyl-5-[(3S)-1-(2-methylphenyl)sulfonylpyrrolidin-3-yl]-1H-pyrazole
CID 125005055
2-[(3S)-1-(2,5-dimethoxyphenyl)sulfonylpiperidin-3-yl]-5-(2-methoxyphenyl)-1,3,4-oxadiazole
CID 99963762
2-[1-(2,5-dimethoxyphenyl)sulfonylpiperidin-3-yl]-5-(3-methoxyphenyl)-1,3,4-oxadiazole
CID 132675744
2-[1-(2,5-dimethoxyphenyl)sulfonylpiperidin-3-yl]-5-(2-methoxyphenyl)-1,3,4-oxadiazole
CID 132675743
(3R)-1-[(4-methoxyphenyl)methyl]-3-(4-methyl-1H-pyrazol-5-yl)piperidine
CID 95844793
(3S)-1-(1-methylimidazol-4-yl)sulfonyl-3-(4-methyl-1H-pyrazol-5-yl)piperidine
CID 95824669
1-(1-methylimidazol-4-yl)sulfonyl-3-(4-methyl-1H-pyrazol-5-yl)piperidine
CID 110257171
2-[1-(2,5-dimethoxyphenyl)sulfonylpyrrolidin-3-yl]-5-methyl-1-propan-2-ylimidazole
CID 91911686
1-(2,5-dimethoxyphenyl)sulfonyl-3-(phenoxymethyl)piperidine
CID 110410424
(3S,4R)-1-(2,5-dimethoxyphenyl)sulfonylpyrrolidine-3,4-diol
CID 79410107

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethoxyphenyl)sulfonyl-3-(4-methyl-1H-pyrazol-5-yl)piperidine?
The IUPAC name of 1-(2,5-dimethoxyphenyl)sulfonyl-3-(4-methyl-1H-pyrazol-5-yl)piperidine (CID 45178348) is 1-(2,5-dimethoxyphenyl)sulfonyl-3-(4-methyl-1H-pyrazol-5-yl)piperidine.
What is the SMILES notation for 1-(2,5-dimethoxyphenyl)sulfonyl-3-(4-methyl-1H-pyrazol-5-yl)piperidine?
The canonical SMILES for 1-(2,5-dimethoxyphenyl)sulfonyl-3-(4-methyl-1H-pyrazol-5-yl)piperidine is COc1ccc(OC)c(S(=O)(=O)N2CCCC(c3[nH]ncc3C)C2)c1.
What is the InChIKey of 1-(2,5-dimethoxyphenyl)sulfonyl-3-(4-methyl-1H-pyrazol-5-yl)piperidine?
The InChIKey is OWFNFCCWABRFNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O4S/c1-12-10-18-19-17(12)13-5-4-8-20(11-13)25(21,22)16-9-14(23-2)6-7-15(16)24-3/h6-7,9-10,13H,4-5,8,11H2,1-3H3,(H,18,19).
What are the key properties of 1-(2,5-dimethoxyphenyl)sulfonyl-3-(4-methyl-1H-pyrazol-5-yl)piperidine?
1-(2,5-dimethoxyphenyl)sulfonyl-3-(4-methyl-1H-pyrazol-5-yl)piperidine has a molecular weight of 365.46 g/mol, XLogP of 2.30, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dimethoxyphenyl)sulfonyl-3-(4-methyl-1H-pyrazol-5-yl)piperidine is sourced from PubChem (CID 45178348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).