(4,4-difluoropiperidin-1-yl)-[1-[3-(methoxymethyl)-1,2,4-thiadiazol-5-yl]piperidin-4-yl]methanone

C15H22F2N4O2S — CID 155975982

IUPAC(4,4-difluoropiperidin-1-yl)-[1-[3-(methoxymethyl)-1,2,4-thiadiazol-5-yl]piperidin-4-yl]methanone
SMILESCOCc1nsc(N2CCC(C(=O)N3CCC(F)(F)CC3)CC2)n1
InChIInChI=1S/C15H22F2N4O2S/c1-23-10-12-18-14(24-19-12)21-6-2-11(3-7-21)13(22)20-8-4-15(16,17)5-9-20/h11H,2-10H2,1H3
InChIKeyZBLJPKPHCAFQAS-UHFFFAOYSA-N
MW360.43 g/mol
LogP2.16
Rot. Bonds4

About (4,4-difluoropiperidin-1-yl)-[1-[3-(methoxymethyl)-1,2,4-thiadiazol-5-yl]piperidin-4-yl]methanone

(4,4-difluoropiperidin-1-yl)-[1-[3-(methoxymethyl)-1,2,4-thiadiazol-5-yl]piperidin-4-yl]methanone (PubChem CID 155975982) has the molecular formula C15H22F2N4O2S and a molecular weight of 360.43 g/mol. Its IUPAC name is (4,4-difluoropiperidin-1-yl)-[1-[3-(methoxymethyl)-1,2,4-thiadiazol-5-yl]piperidin-4-yl]methanone.

Molecular Properties

Compound Name(4,4-difluoropiperidin-1-yl)-[1-[3-(methoxymethyl)-1,2,4-thiadiazol-5-yl]piperidin-4-yl]methanone
PubChem CID155975982
Molecular FormulaC15H22F2N4O2S
Molecular Weight360.43 g/mol
Exact Mass360.14
IUPAC Name(4,4-difluoropiperidin-1-yl)-[1-[3-(methoxymethyl)-1,2,4-thiadiazol-5-yl]piperidin-4-yl]methanone
SMILESCOCc1nsc(N2CCC(C(=O)N3CCC(F)(F)CC3)CC2)n1
InChIInChI=1S/C15H22F2N4O2S/c1-23-10-12-18-14(24-19-12)21-6-2-11(3-7-21)13(22)20-8-4-15(16,17)5-9-20/h11H,2-10H2,1H3
InChIKeyZBLJPKPHCAFQAS-UHFFFAOYSA-N
XLogP2.16
TPSA58.56 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.43
LogP ≤ 52.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-[[1-[3-(Methoxymethyl)-1,2,4-thiadiazol-5-yl]piperidin-4-yl]methyl]piperidin-2-one
CID 121549606
4-(Fluoromethyl)-1-{1-[3-(methoxymethyl)-1,2,4-thiadiazol-5-yl]piperidin-4-yl}pyrrolidin-2-one
CID 126899903
[1-(2,2-Difluoroethyl)piperidin-4-yl]-[4-(3-ethyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]methanone
CID 136539818
4-(4,4-Difluoropiperidine-1-carbonyl)-1-(3-methyl-1,2,4-thiadiazol-5-yl)piperidine
CID 155975828
1-(3-Cyclopropyl-1,2,4-thiadiazol-5-yl)-4-(4,4-difluoropiperidine-1-carbonyl)piperidine
CID 155975920
4-(4,4-Difluoropiperidine-1-carbonyl)-1-[3-(2-methoxyethyl)-1,2,4-thiadiazol-5-yl]piperidine
CID 155976069
2-(4,4-Difluoropiperidine-1-carbonyl)-4-(3-methyl-1,2,4-thiadiazol-5-yl)morpholine
CID 163345763
2-(4,4-Difluoropiperidine-1-carbonyl)-4-[3-(methoxymethyl)-1,2,4-thiadiazol-5-yl]morpholine
CID 163346041
3-(4,4-Difluoropiperidine-1-carbonyl)-1-(3-methyl-1,2,4-thiadiazol-5-yl)piperidine
CID 163357813
3-(4,4-Difluoropiperidine-1-carbonyl)-1-[3-(2-methoxyethyl)-1,2,4-thiadiazol-5-yl]piperidine
CID 163357889
N-({4-fluoro-1-[3-(methoxymethyl)-1,2,4-thiadiazol-5-yl]piperidin-4-yl}methyl)acetamide
CID 165432179
N-({4-fluoro-1-[3-(methoxymethyl)-1,2,4-thiadiazol-5-yl]piperidin-4-yl}methyl)-2,2-dimethylpropanamide
CID 165432231

Frequently Asked Questions

What is the IUPAC name of (4,4-difluoropiperidin-1-yl)-[1-[3-(methoxymethyl)-1,2,4-thiadiazol-5-yl]piperidin-4-yl]methanone?
The IUPAC name of (4,4-difluoropiperidin-1-yl)-[1-[3-(methoxymethyl)-1,2,4-thiadiazol-5-yl]piperidin-4-yl]methanone (CID 155975982) is (4,4-difluoropiperidin-1-yl)-[1-[3-(methoxymethyl)-1,2,4-thiadiazol-5-yl]piperidin-4-yl]methanone.
What is the SMILES notation for (4,4-difluoropiperidin-1-yl)-[1-[3-(methoxymethyl)-1,2,4-thiadiazol-5-yl]piperidin-4-yl]methanone?
The canonical SMILES for (4,4-difluoropiperidin-1-yl)-[1-[3-(methoxymethyl)-1,2,4-thiadiazol-5-yl]piperidin-4-yl]methanone is COCc1nsc(N2CCC(C(=O)N3CCC(F)(F)CC3)CC2)n1.
What is the InChIKey of (4,4-difluoropiperidin-1-yl)-[1-[3-(methoxymethyl)-1,2,4-thiadiazol-5-yl]piperidin-4-yl]methanone?
The InChIKey is ZBLJPKPHCAFQAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22F2N4O2S/c1-23-10-12-18-14(24-19-12)21-6-2-11(3-7-21)13(22)20-8-4-15(16,17)5-9-20/h11H,2-10H2,1H3.
What are the key properties of (4,4-difluoropiperidin-1-yl)-[1-[3-(methoxymethyl)-1,2,4-thiadiazol-5-yl]piperidin-4-yl]methanone?
(4,4-difluoropiperidin-1-yl)-[1-[3-(methoxymethyl)-1,2,4-thiadiazol-5-yl]piperidin-4-yl]methanone has a molecular weight of 360.43 g/mol, XLogP of 2.16, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4,4-difluoropiperidin-1-yl)-[1-[3-(methoxymethyl)-1,2,4-thiadiazol-5-yl]piperidin-4-yl]methanone is sourced from PubChem (CID 155975982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).