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

C16H24F2N4O2S — CID 155976069

IUPAC(4,4-difluoropiperidin-1-yl)-[1-[3-(2-methoxyethyl)-1,2,4-thiadiazol-5-yl]piperidin-4-yl]methanone
SMILESCOCCc1nsc(N2CCC(C(=O)N3CCC(F)(F)CC3)CC2)n1
InChIInChI=1S/C16H24F2N4O2S/c1-24-11-4-13-19-15(25-20-13)22-7-2-12(3-8-22)14(23)21-9-5-16(17,18)6-10-21/h12H,2-11H2,1H3
InChIKeyUUAADESDPCRIRV-UHFFFAOYSA-N
MW374.46 g/mol
LogP2.20
Rot. Bonds5

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

(4,4-difluoropiperidin-1-yl)-[1-[3-(2-methoxyethyl)-1,2,4-thiadiazol-5-yl]piperidin-4-yl]methanone (PubChem CID 155976069) has the molecular formula C16H24F2N4O2S and a molecular weight of 374.46 g/mol. Its IUPAC name is (4,4-difluoropiperidin-1-yl)-[1-[3-(2-methoxyethyl)-1,2,4-thiadiazol-5-yl]piperidin-4-yl]methanone.

Molecular Properties

Compound Name(4,4-difluoropiperidin-1-yl)-[1-[3-(2-methoxyethyl)-1,2,4-thiadiazol-5-yl]piperidin-4-yl]methanone
PubChem CID155976069
Molecular FormulaC16H24F2N4O2S
Molecular Weight374.46 g/mol
Exact Mass374.16
IUPAC Name(4,4-difluoropiperidin-1-yl)-[1-[3-(2-methoxyethyl)-1,2,4-thiadiazol-5-yl]piperidin-4-yl]methanone
SMILESCOCCc1nsc(N2CCC(C(=O)N3CCC(F)(F)CC3)CC2)n1
InChIInChI=1S/C16H24F2N4O2S/c1-24-11-4-13-19-15(25-20-13)22-7-2-12(3-8-22)14(23)21-9-5-16(17,18)6-10-21/h12H,2-11H2,1H3
InChIKeyUUAADESDPCRIRV-UHFFFAOYSA-N
XLogP2.20
TPSA58.56 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.46
LogP ≤ 52.20
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
[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-(methoxymethyl)-1,2,4-thiadiazol-5-yl]piperidine
CID 155975982
3-(4,4-Difluoropiperidine-1-carbonyl)-1-[3-(propan-2-yl)-1,2,4-thiadiazol-5-yl]piperidine
CID 163354710
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
1-(3-Cyclopropyl-1,2,4-thiadiazol-5-yl)-3-(4,4-difluoropiperidine-1-carbonyl)piperidine
CID 163358153
4,4-Difluoro-1-{1-[3-(propan-2-yl)-1,2,4-thiadiazol-5-yl]pyrrolidine-3-carbonyl}piperidine
CID 165434975
4,4-Difluoro-1-{1-[3-(2-methoxyethyl)-1,2,4-thiadiazol-5-yl]pyrrolidine-3-carbonyl}piperidine
CID 165435172
1-(4,4-Difluoropiperidin-1-yl)-2-[1-(3-methyl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]ethan-1-one
CID 171992939

Frequently Asked Questions

What is the IUPAC name of (4,4-difluoropiperidin-1-yl)-[1-[3-(2-methoxyethyl)-1,2,4-thiadiazol-5-yl]piperidin-4-yl]methanone?
The IUPAC name of (4,4-difluoropiperidin-1-yl)-[1-[3-(2-methoxyethyl)-1,2,4-thiadiazol-5-yl]piperidin-4-yl]methanone (CID 155976069) is (4,4-difluoropiperidin-1-yl)-[1-[3-(2-methoxyethyl)-1,2,4-thiadiazol-5-yl]piperidin-4-yl]methanone.
What is the SMILES notation for (4,4-difluoropiperidin-1-yl)-[1-[3-(2-methoxyethyl)-1,2,4-thiadiazol-5-yl]piperidin-4-yl]methanone?
The canonical SMILES for (4,4-difluoropiperidin-1-yl)-[1-[3-(2-methoxyethyl)-1,2,4-thiadiazol-5-yl]piperidin-4-yl]methanone is COCCc1nsc(N2CCC(C(=O)N3CCC(F)(F)CC3)CC2)n1.
What is the InChIKey of (4,4-difluoropiperidin-1-yl)-[1-[3-(2-methoxyethyl)-1,2,4-thiadiazol-5-yl]piperidin-4-yl]methanone?
The InChIKey is UUAADESDPCRIRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24F2N4O2S/c1-24-11-4-13-19-15(25-20-13)22-7-2-12(3-8-22)14(23)21-9-5-16(17,18)6-10-21/h12H,2-11H2,1H3.
What are the key properties of (4,4-difluoropiperidin-1-yl)-[1-[3-(2-methoxyethyl)-1,2,4-thiadiazol-5-yl]piperidin-4-yl]methanone?
(4,4-difluoropiperidin-1-yl)-[1-[3-(2-methoxyethyl)-1,2,4-thiadiazol-5-yl]piperidin-4-yl]methanone has a molecular weight of 374.46 g/mol, XLogP of 2.20, 5 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-(2-methoxyethyl)-1,2,4-thiadiazol-5-yl]piperidin-4-yl]methanone is sourced from PubChem (CID 155976069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).