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

C14H20F2N4OS — CID 163357813

IUPAC(4,4-difluoropiperidin-1-yl)-[1-(3-methyl-1,2,4-thiadiazol-5-yl)piperidin-3-yl]methanone
SMILESCc1nsc(N2CCCC(C(=O)N3CCC(F)(F)CC3)C2)n1
InChIInChI=1S/C14H20F2N4OS/c1-10-17-13(22-18-10)20-6-2-3-11(9-20)12(21)19-7-4-14(15,16)5-8-19/h11H,2-9H2,1H3
InChIKeyYAPBEPJOYVTOAK-UHFFFAOYSA-N
MW330.40 g/mol
LogP2.32
Rot. Bonds2

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

(4,4-difluoropiperidin-1-yl)-[1-(3-methyl-1,2,4-thiadiazol-5-yl)piperidin-3-yl]methanone (PubChem CID 163357813) has the molecular formula C14H20F2N4OS and a molecular weight of 330.40 g/mol. Its IUPAC name is (4,4-difluoropiperidin-1-yl)-[1-(3-methyl-1,2,4-thiadiazol-5-yl)piperidin-3-yl]methanone.

Molecular Properties

Compound Name(4,4-difluoropiperidin-1-yl)-[1-(3-methyl-1,2,4-thiadiazol-5-yl)piperidin-3-yl]methanone
PubChem CID163357813
Molecular FormulaC14H20F2N4OS
Molecular Weight330.40 g/mol
Exact Mass330.13
IUPAC Name(4,4-difluoropiperidin-1-yl)-[1-(3-methyl-1,2,4-thiadiazol-5-yl)piperidin-3-yl]methanone
SMILESCc1nsc(N2CCCC(C(=O)N3CCC(F)(F)CC3)C2)n1
InChIInChI=1S/C14H20F2N4OS/c1-10-17-13(22-18-10)20-6-2-3-11(9-20)12(21)19-7-4-14(15,16)5-8-19/h11H,2-9H2,1H3
InChIKeyYAPBEPJOYVTOAK-UHFFFAOYSA-N
XLogP2.32
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.40
LogP ≤ 52.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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CID 155975920
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CID 155975982
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Frequently Asked Questions

What is the IUPAC name of (4,4-difluoropiperidin-1-yl)-[1-(3-methyl-1,2,4-thiadiazol-5-yl)piperidin-3-yl]methanone?
The IUPAC name of (4,4-difluoropiperidin-1-yl)-[1-(3-methyl-1,2,4-thiadiazol-5-yl)piperidin-3-yl]methanone (CID 163357813) is (4,4-difluoropiperidin-1-yl)-[1-(3-methyl-1,2,4-thiadiazol-5-yl)piperidin-3-yl]methanone.
What is the SMILES notation for (4,4-difluoropiperidin-1-yl)-[1-(3-methyl-1,2,4-thiadiazol-5-yl)piperidin-3-yl]methanone?
The canonical SMILES for (4,4-difluoropiperidin-1-yl)-[1-(3-methyl-1,2,4-thiadiazol-5-yl)piperidin-3-yl]methanone is Cc1nsc(N2CCCC(C(=O)N3CCC(F)(F)CC3)C2)n1.
What is the InChIKey of (4,4-difluoropiperidin-1-yl)-[1-(3-methyl-1,2,4-thiadiazol-5-yl)piperidin-3-yl]methanone?
The InChIKey is YAPBEPJOYVTOAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20F2N4OS/c1-10-17-13(22-18-10)20-6-2-3-11(9-20)12(21)19-7-4-14(15,16)5-8-19/h11H,2-9H2,1H3.
What are the key properties of (4,4-difluoropiperidin-1-yl)-[1-(3-methyl-1,2,4-thiadiazol-5-yl)piperidin-3-yl]methanone?
(4,4-difluoropiperidin-1-yl)-[1-(3-methyl-1,2,4-thiadiazol-5-yl)piperidin-3-yl]methanone has a molecular weight of 330.40 g/mol, XLogP of 2.32, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4,4-difluoropiperidin-1-yl)-[1-(3-methyl-1,2,4-thiadiazol-5-yl)piperidin-3-yl]methanone is sourced from PubChem (CID 163357813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).