[5-[(2R)-1-(4-methoxyphenyl)sulfonylpiperidin-2-yl]-1H-pyrazol-4-yl]-piperidin-1-ylmethanone

C21H28N4O4S — CID 124948630

IUPAC[5-[(2R)-1-(4-methoxyphenyl)sulfonylpiperidin-2-yl]-1H-pyrazol-4-yl]-piperidin-1-ylmethanone
SMILESCOc1ccc(S(=O)(=O)N2CCCC[C@@H]2c2[nH]ncc2C(=O)N2CCCCC2)cc1
InChIInChI=1S/C21H28N4O4S/c1-29-16-8-10-17(11-9-16)30(27,28)25-14-6-3-7-19(25)20-18(15-22-23-20)21(26)24-12-4-2-5-13-24/h8-11,15,19H,2-7,12-14H2,1H3,(H,22,23)/t19-/m1/s1
InChIKeyCOFYAZHYJPEGCA-LJQANCHMSA-N
MW432.55 g/mol
LogP2.96
Rot. Bonds5

About [5-[(2R)-1-(4-methoxyphenyl)sulfonylpiperidin-2-yl]-1H-pyrazol-4-yl]-piperidin-1-ylmethanone

[5-[(2R)-1-(4-methoxyphenyl)sulfonylpiperidin-2-yl]-1H-pyrazol-4-yl]-piperidin-1-ylmethanone (PubChem CID 124948630) has the molecular formula C21H28N4O4S and a molecular weight of 432.55 g/mol. Its IUPAC name is [5-[(2R)-1-(4-methoxyphenyl)sulfonylpiperidin-2-yl]-1H-pyrazol-4-yl]-piperidin-1-ylmethanone.

Molecular Properties

Compound Name[5-[(2R)-1-(4-methoxyphenyl)sulfonylpiperidin-2-yl]-1H-pyrazol-4-yl]-piperidin-1-ylmethanone
PubChem CID124948630
Molecular FormulaC21H28N4O4S
Molecular Weight432.55 g/mol
Exact Mass432.18
IUPAC Name[5-[(2R)-1-(4-methoxyphenyl)sulfonylpiperidin-2-yl]-1H-pyrazol-4-yl]-piperidin-1-ylmethanone
SMILESCOc1ccc(S(=O)(=O)N2CCCC[C@@H]2c2[nH]ncc2C(=O)N2CCCCC2)cc1
InChIInChI=1S/C21H28N4O4S/c1-29-16-8-10-17(11-9-16)30(27,28)25-14-6-3-7-19(25)20-18(15-22-23-20)21(26)24-12-4-2-5-13-24/h8-11,15,19H,2-7,12-14H2,1H3,(H,22,23)/t19-/m1/s1
InChIKeyCOFYAZHYJPEGCA-LJQANCHMSA-N
XLogP2.96
TPSA95.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.55
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

azepan-1-yl-[5-[1-(4-methoxyphenyl)sulfonylpiperidin-2-yl]-1H-pyrazol-4-yl]methanone
CID 110088119
[5-[1-(3,4-difluorophenyl)sulfonylpiperidin-2-yl]-1H-pyrazol-4-yl]-morpholin-4-ylmethanone
CID 127244589
5-[1-(4-chlorophenyl)sulfonylpiperidin-2-yl]-N,N-dimethyl-1H-pyrazole-4-carboxamide
CID 110088094
4-[(2R)-2-(4-methoxyphenyl)azepan-1-yl]sulfonylbenzamide
CID 27304150
azepan-1-yl-[5-[1-(benzenesulfonyl)piperidin-4-yl]-1H-pyrazol-4-yl]methanone
CID 92575414
[2-[1-(3-methoxyphenyl)sulfonylpyrrolidin-2-yl]-4-methylpyrimidin-5-yl]-piperidin-1-ylmethanone
CID 110084545
3-[(2S)-1-(4-methoxyphenyl)sulfonylpiperidin-2-yl]pyridine
CID 906684
2-[1-(4-methoxyphenyl)sulfonylpyrrolidin-2-yl]-5-methyl-1H-imidazole
CID 110104512
(2S)-1-(benzenesulfonyl)-2-(4-methoxyphenyl)azepane
CID 38257339
(2R)-1-(benzenesulfonyl)-2-(4-methoxyphenyl)azepane
CID 38257342
[5-[(3S)-1-(4-methylphenyl)sulfonylpiperidin-3-yl]-1H-pyrazol-4-yl]-pyrrolidin-1-ylmethanone
CID 124982796
2-(4-methoxyphenyl)-1-(4-nitrophenyl)sulfonylazepane
CID 53096146

Frequently Asked Questions

What is the IUPAC name of [5-[(2R)-1-(4-methoxyphenyl)sulfonylpiperidin-2-yl]-1H-pyrazol-4-yl]-piperidin-1-ylmethanone?
The IUPAC name of [5-[(2R)-1-(4-methoxyphenyl)sulfonylpiperidin-2-yl]-1H-pyrazol-4-yl]-piperidin-1-ylmethanone (CID 124948630) is [5-[(2R)-1-(4-methoxyphenyl)sulfonylpiperidin-2-yl]-1H-pyrazol-4-yl]-piperidin-1-ylmethanone.
What is the SMILES notation for [5-[(2R)-1-(4-methoxyphenyl)sulfonylpiperidin-2-yl]-1H-pyrazol-4-yl]-piperidin-1-ylmethanone?
The canonical SMILES for [5-[(2R)-1-(4-methoxyphenyl)sulfonylpiperidin-2-yl]-1H-pyrazol-4-yl]-piperidin-1-ylmethanone is COc1ccc(S(=O)(=O)N2CCCC[C@@H]2c2[nH]ncc2C(=O)N2CCCCC2)cc1.
What is the InChIKey of [5-[(2R)-1-(4-methoxyphenyl)sulfonylpiperidin-2-yl]-1H-pyrazol-4-yl]-piperidin-1-ylmethanone?
The InChIKey is COFYAZHYJPEGCA-LJQANCHMSA-N. The full InChI is InChI=1S/C21H28N4O4S/c1-29-16-8-10-17(11-9-16)30(27,28)25-14-6-3-7-19(25)20-18(15-22-23-20)21(26)24-12-4-2-5-13-24/h8-11,15,19H,2-7,12-14H2,1H3,(H,22,23)/t19-/m1/s1.
What are the key properties of [5-[(2R)-1-(4-methoxyphenyl)sulfonylpiperidin-2-yl]-1H-pyrazol-4-yl]-piperidin-1-ylmethanone?
[5-[(2R)-1-(4-methoxyphenyl)sulfonylpiperidin-2-yl]-1H-pyrazol-4-yl]-piperidin-1-ylmethanone has a molecular weight of 432.55 g/mol, XLogP of 2.96, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[(2R)-1-(4-methoxyphenyl)sulfonylpiperidin-2-yl]-1H-pyrazol-4-yl]-piperidin-1-ylmethanone is sourced from PubChem (CID 124948630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).