[(3R)-1-(4-methylphenyl)sulfonylpiperidin-3-yl]-[4-(5-phenyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]methanone

C26H30N4O4S — CID 92896427

IUPAC[(3R)-1-(4-methylphenyl)sulfonylpiperidin-3-yl]-[4-(5-phenyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]methanone
SMILESCc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)N3CCC(c4noc(-c5ccccc5)n4)CC3)C2)cc1
InChIInChI=1S/C26H30N4O4S/c1-19-9-11-23(12-10-19)35(32,33)30-15-5-8-22(18-30)26(31)29-16-13-20(14-17-29)24-27-25(34-28-24)21-6-3-2-4-7-21/h2-4,6-7,9-12,20,22H,5,8,13-18H2,1H3/t22-/m1/s1
InChIKeyLISPYZKZVRNCIU-JOCHJYFZSA-N
MW494.62 g/mol
LogP3.85
Rot. Bonds5

About [(3R)-1-(4-methylphenyl)sulfonylpiperidin-3-yl]-[4-(5-phenyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]methanone

[(3R)-1-(4-methylphenyl)sulfonylpiperidin-3-yl]-[4-(5-phenyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]methanone (PubChem CID 92896427) has the molecular formula C26H30N4O4S and a molecular weight of 494.62 g/mol. Its IUPAC name is [(3R)-1-(4-methylphenyl)sulfonylpiperidin-3-yl]-[4-(5-phenyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name[(3R)-1-(4-methylphenyl)sulfonylpiperidin-3-yl]-[4-(5-phenyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]methanone
PubChem CID92896427
Molecular FormulaC26H30N4O4S
Molecular Weight494.62 g/mol
Exact Mass494.20
IUPAC Name[(3R)-1-(4-methylphenyl)sulfonylpiperidin-3-yl]-[4-(5-phenyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]methanone
SMILESCc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)N3CCC(c4noc(-c5ccccc5)n4)CC3)C2)cc1
InChIInChI=1S/C26H30N4O4S/c1-19-9-11-23(12-10-19)35(32,33)30-15-5-8-22(18-30)26(31)29-16-13-20(14-17-29)24-27-25(34-28-24)21-6-3-2-4-7-21/h2-4,6-7,9-12,20,22H,5,8,13-18H2,1H3/t22-/m1/s1
InChIKeyLISPYZKZVRNCIU-JOCHJYFZSA-N
XLogP3.85
TPSA96.61 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500494.62
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-[4-[4-[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl]sulfonylphenyl]ethanone
CID 53130647
(4-benzhydrylpiperazin-1-yl)-[(3S)-1-(4-methylphenyl)sulfonylpiperidin-3-yl]methanone
CID 30156942
[1-(4-methylphenyl)sulfonylpiperidin-3-yl]-morpholin-4-ylmethanone
CID 3156708
[(3S)-1-(4-methylphenyl)sulfonylpiperidin-3-yl]-morpholin-4-ylmethanone
CID 1090398
[(3S)-1-(4-methylphenyl)sulfonylpiperidin-3-yl]-[(2S)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methanone
CID 129421156
5-(4-fluorophenyl)-3-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]-1,2,4-oxadiazole
CID 50835872
5-(4-chlorophenyl)-3-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]-1,2,4-oxadiazole
CID 53130663
4-[1-(4-methylphenyl)sulfonylpiperidine-3-carbonyl]morpholine-2-carboxylic acid
CID 119358030
1-(4-methylphenyl)sulfonyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-3-carboxamide
CID 43889559
[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-[(3R)-1-methylsulfonylpiperidin-3-yl]methanone
CID 51931000
5-[1-(4-methylphenyl)sulfonylpiperidin-3-yl]-3-phenyl-1,2,4-oxadiazole
CID 46350393
1-(4-phenylphenyl)sulfonylpiperidine-3-carboxylic acid
CID 69368579

Frequently Asked Questions

What is the IUPAC name of [(3R)-1-(4-methylphenyl)sulfonylpiperidin-3-yl]-[4-(5-phenyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]methanone?
The IUPAC name of [(3R)-1-(4-methylphenyl)sulfonylpiperidin-3-yl]-[4-(5-phenyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]methanone (CID 92896427) is [(3R)-1-(4-methylphenyl)sulfonylpiperidin-3-yl]-[4-(5-phenyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]methanone.
What is the SMILES notation for [(3R)-1-(4-methylphenyl)sulfonylpiperidin-3-yl]-[4-(5-phenyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]methanone?
The canonical SMILES for [(3R)-1-(4-methylphenyl)sulfonylpiperidin-3-yl]-[4-(5-phenyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]methanone is Cc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)N3CCC(c4noc(-c5ccccc5)n4)CC3)C2)cc1.
What is the InChIKey of [(3R)-1-(4-methylphenyl)sulfonylpiperidin-3-yl]-[4-(5-phenyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]methanone?
The InChIKey is LISPYZKZVRNCIU-JOCHJYFZSA-N. The full InChI is InChI=1S/C26H30N4O4S/c1-19-9-11-23(12-10-19)35(32,33)30-15-5-8-22(18-30)26(31)29-16-13-20(14-17-29)24-27-25(34-28-24)21-6-3-2-4-7-21/h2-4,6-7,9-12,20,22H,5,8,13-18H2,1H3/t22-/m1/s1.
What are the key properties of [(3R)-1-(4-methylphenyl)sulfonylpiperidin-3-yl]-[4-(5-phenyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]methanone?
[(3R)-1-(4-methylphenyl)sulfonylpiperidin-3-yl]-[4-(5-phenyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]methanone has a molecular weight of 494.62 g/mol, XLogP of 3.85, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-1-(4-methylphenyl)sulfonylpiperidin-3-yl]-[4-(5-phenyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]methanone is sourced from PubChem (CID 92896427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).