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

C15H21F3N4O4S — CID 90540208

IUPAC(1-methylsulfonylpiperidin-4-yl)-[3-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]methanone
SMILESCS(=O)(=O)N1CCC(C(=O)N2CCCC(c3nnc(C(F)(F)F)o3)C2)CC1
InChIInChI=1S/C15H21F3N4O4S/c1-27(24,25)22-7-4-10(5-8-22)13(23)21-6-2-3-11(9-21)12-19-20-14(26-12)15(16,17)18/h10-11H,2-9H2,1H3
InChIKeyMDOQZOZVCNELDD-UHFFFAOYSA-N
MW410.42 g/mol
LogP1.47
Rot. Bonds3

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

(1-methylsulfonylpiperidin-4-yl)-[3-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]methanone (PubChem CID 90540208) has the molecular formula C15H21F3N4O4S and a molecular weight of 410.42 g/mol. Its IUPAC name is (1-methylsulfonylpiperidin-4-yl)-[3-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]methanone.

Molecular Properties

Compound Name(1-methylsulfonylpiperidin-4-yl)-[3-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]methanone
PubChem CID90540208
Molecular FormulaC15H21F3N4O4S
Molecular Weight410.42 g/mol
Exact Mass410.12
IUPAC Name(1-methylsulfonylpiperidin-4-yl)-[3-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]methanone
SMILESCS(=O)(=O)N1CCC(C(=O)N2CCCC(c3nnc(C(F)(F)F)o3)C2)CC1
InChIInChI=1S/C15H21F3N4O4S/c1-27(24,25)22-7-4-10(5-8-22)13(23)21-6-2-3-11(9-21)12-19-20-14(26-12)15(16,17)18/h10-11H,2-9H2,1H3
InChIKeyMDOQZOZVCNELDD-UHFFFAOYSA-N
XLogP1.47
TPSA96.61 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.42
LogP ≤ 51.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-[3-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]propan-1-one
CID 71793037
cyclopropyl-[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]methanone
CID 71792951
5-[3-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidine-1-carbonyl]pyrrolidin-2-one
CID 90540044
N-(4-tert-butylphenyl)-3-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidine-1-carboxamide
CID 90540275
N-[4-[3-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]sulfonylphenyl]acetamide
CID 71793689
(4-methylthiadiazol-5-yl)-[3-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]methanone
CID 90540207
1-(3,4-dimethylphenyl)-4-[3-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidine-1-carbonyl]pyrrolidin-2-one
CID 90540191
N-(3,5-dimethylphenyl)-3-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidine-1-carboxamide
CID 90540294
(2,6-difluorophenyl)-[3-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]methanone
CID 90540125
1-(1-methylsulfonylpiperidine-4-carbonyl)piperidine-3-carboxylic acid
CID 43171029
2-[1-(4-fluorophenyl)sulfonylpiperidin-3-yl]-5-(trifluoromethyl)-1,3,4-oxadiazole
CID 90542573
2-methyl-6-[(3S)-3-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidine-1-carbonyl]pyridazin-3-one
CID 95985593

Frequently Asked Questions

What is the IUPAC name of (1-methylsulfonylpiperidin-4-yl)-[3-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]methanone?
The IUPAC name of (1-methylsulfonylpiperidin-4-yl)-[3-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]methanone (CID 90540208) is (1-methylsulfonylpiperidin-4-yl)-[3-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]methanone.
What is the SMILES notation for (1-methylsulfonylpiperidin-4-yl)-[3-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]methanone?
The canonical SMILES for (1-methylsulfonylpiperidin-4-yl)-[3-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]methanone is CS(=O)(=O)N1CCC(C(=O)N2CCCC(c3nnc(C(F)(F)F)o3)C2)CC1.
What is the InChIKey of (1-methylsulfonylpiperidin-4-yl)-[3-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]methanone?
The InChIKey is MDOQZOZVCNELDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21F3N4O4S/c1-27(24,25)22-7-4-10(5-8-22)13(23)21-6-2-3-11(9-21)12-19-20-14(26-12)15(16,17)18/h10-11H,2-9H2,1H3.
What are the key properties of (1-methylsulfonylpiperidin-4-yl)-[3-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]methanone?
(1-methylsulfonylpiperidin-4-yl)-[3-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]methanone has a molecular weight of 410.42 g/mol, XLogP of 1.47, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methylsulfonylpiperidin-4-yl)-[3-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]methanone is sourced from PubChem (CID 90540208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).