[4-[5-[(2R)-1-methylsulfonylpiperidin-2-yl]-1,3,4-oxadiazol-2-yl]piperidin-1-yl]-(4-methylthiophen-2-yl)methanone

C19H26N4O4S2 — CID 95805436

IUPAC[4-[5-[(2R)-1-methylsulfonylpiperidin-2-yl]-1,3,4-oxadiazol-2-yl]piperidin-1-yl]-(4-methylthiophen-2-yl)methanone
SMILESCc1csc(C(=O)N2CCC(c3nnc([C@H]4CCCCN4S(C)(=O)=O)o3)CC2)c1
InChIInChI=1S/C19H26N4O4S2/c1-13-11-16(28-12-13)19(24)22-9-6-14(7-10-22)17-20-21-18(27-17)15-5-3-4-8-23(15)29(2,25)26/h11-12,14-15H,3-10H2,1-2H3/t15-/m1/s1
InChIKeyWUMFWFKCFNLRSZ-OAHLLOKOSA-N
MW438.58 g/mol
LogP2.95
Rot. Bonds4

About [4-[5-[(2R)-1-methylsulfonylpiperidin-2-yl]-1,3,4-oxadiazol-2-yl]piperidin-1-yl]-(4-methylthiophen-2-yl)methanone

[4-[5-[(2R)-1-methylsulfonylpiperidin-2-yl]-1,3,4-oxadiazol-2-yl]piperidin-1-yl]-(4-methylthiophen-2-yl)methanone (PubChem CID 95805436) has the molecular formula C19H26N4O4S2 and a molecular weight of 438.58 g/mol. Its IUPAC name is [4-[5-[(2R)-1-methylsulfonylpiperidin-2-yl]-1,3,4-oxadiazol-2-yl]piperidin-1-yl]-(4-methylthiophen-2-yl)methanone.

Molecular Properties

Compound Name[4-[5-[(2R)-1-methylsulfonylpiperidin-2-yl]-1,3,4-oxadiazol-2-yl]piperidin-1-yl]-(4-methylthiophen-2-yl)methanone
PubChem CID95805436
Molecular FormulaC19H26N4O4S2
Molecular Weight438.58 g/mol
Exact Mass438.14
IUPAC Name[4-[5-[(2R)-1-methylsulfonylpiperidin-2-yl]-1,3,4-oxadiazol-2-yl]piperidin-1-yl]-(4-methylthiophen-2-yl)methanone
SMILESCc1csc(C(=O)N2CCC(c3nnc([C@H]4CCCCN4S(C)(=O)=O)o3)CC2)c1
InChIInChI=1S/C19H26N4O4S2/c1-13-11-16(28-12-13)19(24)22-9-6-14(7-10-22)17-20-21-18(27-17)15-5-3-4-8-23(15)29(2,25)26/h11-12,14-15H,3-10H2,1-2H3/t15-/m1/s1
InChIKeyWUMFWFKCFNLRSZ-OAHLLOKOSA-N
XLogP2.95
TPSA96.61 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.58
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze [4-[5-[(2R)-1-methylsulfonylpiperidin-2-yl]-1,3,4-oxadiazol-2-yl]piperidin-1-yl]-(4-methylthiophen-2-yl)methanone with MolForge

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Related Compounds

2-[1-[(2-methylphenyl)methyl]piperidin-4-yl]-5-[(2R)-1-methylsulfonylpiperidin-2-yl]-1,3,4-oxadiazole
CID 125020048
2-methyl-5-[(2R)-1-methylsulfonylpiperidin-2-yl]-1,3,4-oxadiazole
CID 95841554
2-[1-[(3-chlorophenyl)methyl]piperidin-4-yl]-5-[(2S)-1-methylsulfonylpiperidin-2-yl]-1,3,4-oxadiazole
CID 124955056
2-[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]-5-(1-methylsulfonylpiperidin-2-yl)-1,3,4-oxadiazole
CID 110247251
[(3R)-3-methylsulfonylpyrrolidin-1-yl]-(4-methylthiophen-2-yl)methanone
CID 97414872
2-cyclobutyl-5-[1-(3-methylphenyl)sulfonylpiperidin-2-yl]-1,3,4-oxadiazole
CID 136542510
4-cyclopentyl-2-methyl-5-[1-(4-methylthiophene-2-carbonyl)piperidin-4-yl]-1,2,4-triazol-3-one
CID 121115010
2-cyclobutyl-5-(1-ethylsulfonylpiperidin-2-yl)-1,3,4-oxadiazole
CID 128991904
2-[1-[(3,4-dimethylphenyl)methyl]piperidin-4-yl]-5-[(2R)-1-ethylsulfonylpiperidin-2-yl]-1,3,4-oxadiazole
CID 95805427
(3-cyclohexylsulfonylazetidin-1-yl)-(4-methylthiophen-2-yl)methanone
CID 71809293
[4-[6-(azepan-1-yl)pyridazin-3-yl]piperazin-1-yl]-(4-methylthiophen-2-yl)methanone
CID 122334961
2-(1-ethylsulfonylpiperidin-2-yl)-5-[1-(thiophen-2-ylmethyl)piperidin-4-yl]-1,3,4-oxadiazole
CID 110247239

Frequently Asked Questions

What is the IUPAC name of [4-[5-[(2R)-1-methylsulfonylpiperidin-2-yl]-1,3,4-oxadiazol-2-yl]piperidin-1-yl]-(4-methylthiophen-2-yl)methanone?
The IUPAC name of [4-[5-[(2R)-1-methylsulfonylpiperidin-2-yl]-1,3,4-oxadiazol-2-yl]piperidin-1-yl]-(4-methylthiophen-2-yl)methanone (CID 95805436) is [4-[5-[(2R)-1-methylsulfonylpiperidin-2-yl]-1,3,4-oxadiazol-2-yl]piperidin-1-yl]-(4-methylthiophen-2-yl)methanone.
What is the SMILES notation for [4-[5-[(2R)-1-methylsulfonylpiperidin-2-yl]-1,3,4-oxadiazol-2-yl]piperidin-1-yl]-(4-methylthiophen-2-yl)methanone?
The canonical SMILES for [4-[5-[(2R)-1-methylsulfonylpiperidin-2-yl]-1,3,4-oxadiazol-2-yl]piperidin-1-yl]-(4-methylthiophen-2-yl)methanone is Cc1csc(C(=O)N2CCC(c3nnc([C@H]4CCCCN4S(C)(=O)=O)o3)CC2)c1.
What is the InChIKey of [4-[5-[(2R)-1-methylsulfonylpiperidin-2-yl]-1,3,4-oxadiazol-2-yl]piperidin-1-yl]-(4-methylthiophen-2-yl)methanone?
The InChIKey is WUMFWFKCFNLRSZ-OAHLLOKOSA-N. The full InChI is InChI=1S/C19H26N4O4S2/c1-13-11-16(28-12-13)19(24)22-9-6-14(7-10-22)17-20-21-18(27-17)15-5-3-4-8-23(15)29(2,25)26/h11-12,14-15H,3-10H2,1-2H3/t15-/m1/s1.
What are the key properties of [4-[5-[(2R)-1-methylsulfonylpiperidin-2-yl]-1,3,4-oxadiazol-2-yl]piperidin-1-yl]-(4-methylthiophen-2-yl)methanone?
[4-[5-[(2R)-1-methylsulfonylpiperidin-2-yl]-1,3,4-oxadiazol-2-yl]piperidin-1-yl]-(4-methylthiophen-2-yl)methanone has a molecular weight of 438.58 g/mol, XLogP of 2.95, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[5-[(2R)-1-methylsulfonylpiperidin-2-yl]-1,3,4-oxadiazol-2-yl]piperidin-1-yl]-(4-methylthiophen-2-yl)methanone is sourced from PubChem (CID 95805436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).