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

C15H22F2N4O3S — CID 163349357

IUPAC(4,4-difluoropiperidin-1-yl)-[4-[3-(2-methoxyethyl)-1,2,4-thiadiazol-5-yl]morpholin-2-yl]methanone
SMILESCOCCc1nsc(N2CCOC(C(=O)N3CCC(F)(F)CC3)C2)n1
InChIInChI=1S/C15H22F2N4O3S/c1-23-8-2-12-18-14(25-19-12)21-7-9-24-11(10-21)13(22)20-5-3-15(16,17)4-6-20/h11H,2-10H2,1H3
InChIKeyAMPZWWZXLNFGGQ-UHFFFAOYSA-N
MW376.43 g/mol
LogP1.19
Rot. Bonds5

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

(4,4-difluoropiperidin-1-yl)-[4-[3-(2-methoxyethyl)-1,2,4-thiadiazol-5-yl]morpholin-2-yl]methanone (PubChem CID 163349357) has the molecular formula C15H22F2N4O3S and a molecular weight of 376.43 g/mol. Its IUPAC name is (4,4-difluoropiperidin-1-yl)-[4-[3-(2-methoxyethyl)-1,2,4-thiadiazol-5-yl]morpholin-2-yl]methanone.

Molecular Properties

Compound Name(4,4-difluoropiperidin-1-yl)-[4-[3-(2-methoxyethyl)-1,2,4-thiadiazol-5-yl]morpholin-2-yl]methanone
PubChem CID163349357
Molecular FormulaC15H22F2N4O3S
Molecular Weight376.43 g/mol
Exact Mass376.14
IUPAC Name(4,4-difluoropiperidin-1-yl)-[4-[3-(2-methoxyethyl)-1,2,4-thiadiazol-5-yl]morpholin-2-yl]methanone
SMILESCOCCc1nsc(N2CCOC(C(=O)N3CCC(F)(F)CC3)C2)n1
InChIInChI=1S/C15H22F2N4O3S/c1-23-8-2-12-18-14(25-19-12)21-7-9-24-11(10-21)13(22)20-5-3-15(16,17)4-6-20/h11H,2-10H2,1H3
InChIKeyAMPZWWZXLNFGGQ-UHFFFAOYSA-N
XLogP1.19
TPSA67.79 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.43
LogP ≤ 51.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of (4,4-difluoropiperidin-1-yl)-[4-[3-(2-methoxyethyl)-1,2,4-thiadiazol-5-yl]morpholin-2-yl]methanone?
The IUPAC name of (4,4-difluoropiperidin-1-yl)-[4-[3-(2-methoxyethyl)-1,2,4-thiadiazol-5-yl]morpholin-2-yl]methanone (CID 163349357) is (4,4-difluoropiperidin-1-yl)-[4-[3-(2-methoxyethyl)-1,2,4-thiadiazol-5-yl]morpholin-2-yl]methanone.
What is the SMILES notation for (4,4-difluoropiperidin-1-yl)-[4-[3-(2-methoxyethyl)-1,2,4-thiadiazol-5-yl]morpholin-2-yl]methanone?
The canonical SMILES for (4,4-difluoropiperidin-1-yl)-[4-[3-(2-methoxyethyl)-1,2,4-thiadiazol-5-yl]morpholin-2-yl]methanone is COCCc1nsc(N2CCOC(C(=O)N3CCC(F)(F)CC3)C2)n1.
What is the InChIKey of (4,4-difluoropiperidin-1-yl)-[4-[3-(2-methoxyethyl)-1,2,4-thiadiazol-5-yl]morpholin-2-yl]methanone?
The InChIKey is AMPZWWZXLNFGGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22F2N4O3S/c1-23-8-2-12-18-14(25-19-12)21-7-9-24-11(10-21)13(22)20-5-3-15(16,17)4-6-20/h11H,2-10H2,1H3.
What are the key properties of (4,4-difluoropiperidin-1-yl)-[4-[3-(2-methoxyethyl)-1,2,4-thiadiazol-5-yl]morpholin-2-yl]methanone?
(4,4-difluoropiperidin-1-yl)-[4-[3-(2-methoxyethyl)-1,2,4-thiadiazol-5-yl]morpholin-2-yl]methanone has a molecular weight of 376.43 g/mol, XLogP of 1.19, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (4,4-difluoropiperidin-1-yl)-[4-[3-(2-methoxyethyl)-1,2,4-thiadiazol-5-yl]morpholin-2-yl]methanone is sourced from PubChem (CID 163349357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).