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

C16H24F2N4OS — CID 163354710

IUPAC(4,4-difluoropiperidin-1-yl)-[1-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)piperidin-3-yl]methanone
SMILESCC(C)c1nsc(N2CCCC(C(=O)N3CCC(F)(F)CC3)C2)n1
InChIInChI=1S/C16H24F2N4OS/c1-11(2)13-19-15(24-20-13)22-7-3-4-12(10-22)14(23)21-8-5-16(17,18)6-9-21/h11-12H,3-10H2,1-2H3
InChIKeyRCBOINJTJAUYBO-UHFFFAOYSA-N
MW358.46 g/mol
LogP3.14
Rot. Bonds3

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

(4,4-difluoropiperidin-1-yl)-[1-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)piperidin-3-yl]methanone (PubChem CID 163354710) has the molecular formula C16H24F2N4OS and a molecular weight of 358.46 g/mol. Its IUPAC name is (4,4-difluoropiperidin-1-yl)-[1-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)piperidin-3-yl]methanone.

Molecular Properties

Compound Name(4,4-difluoropiperidin-1-yl)-[1-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)piperidin-3-yl]methanone
PubChem CID163354710
Molecular FormulaC16H24F2N4OS
Molecular Weight358.46 g/mol
Exact Mass358.16
IUPAC Name(4,4-difluoropiperidin-1-yl)-[1-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)piperidin-3-yl]methanone
SMILESCC(C)c1nsc(N2CCCC(C(=O)N3CCC(F)(F)CC3)C2)n1
InChIInChI=1S/C16H24F2N4OS/c1-11(2)13-19-15(24-20-13)22-7-3-4-12(10-22)14(23)21-8-5-16(17,18)6-9-21/h11-12H,3-10H2,1-2H3
InChIKeyRCBOINJTJAUYBO-UHFFFAOYSA-N
XLogP3.14
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.46
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-aminoethyl)-1-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]piperidine-3-carboxamide
CID 107305337
1-[3-(2-methylpropyl)-1,2,4-thiadiazol-5-yl]-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
CID 133484623
1-(3-tert-butyl-1,2,4-thiadiazol-5-yl)-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
CID 133508427
[1-(2,2-Difluoroethyl)piperidin-4-yl]-[4-(3-ethyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]methanone
CID 136539818
N-propyl-1-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]piperidine-3-carboxamide
CID 137921982
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
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-methyl-1,2,4-thiadiazol-5-yl)pyrrolidine-3-carbonyl]piperidine
CID 165434774

Frequently Asked Questions

What is the IUPAC name of (4,4-difluoropiperidin-1-yl)-[1-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)piperidin-3-yl]methanone?
The IUPAC name of (4,4-difluoropiperidin-1-yl)-[1-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)piperidin-3-yl]methanone (CID 163354710) is (4,4-difluoropiperidin-1-yl)-[1-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)piperidin-3-yl]methanone.
What is the SMILES notation for (4,4-difluoropiperidin-1-yl)-[1-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)piperidin-3-yl]methanone?
The canonical SMILES for (4,4-difluoropiperidin-1-yl)-[1-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)piperidin-3-yl]methanone is CC(C)c1nsc(N2CCCC(C(=O)N3CCC(F)(F)CC3)C2)n1.
What is the InChIKey of (4,4-difluoropiperidin-1-yl)-[1-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)piperidin-3-yl]methanone?
The InChIKey is RCBOINJTJAUYBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24F2N4OS/c1-11(2)13-19-15(24-20-13)22-7-3-4-12(10-22)14(23)21-8-5-16(17,18)6-9-21/h11-12H,3-10H2,1-2H3.
What are the key properties of (4,4-difluoropiperidin-1-yl)-[1-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)piperidin-3-yl]methanone?
(4,4-difluoropiperidin-1-yl)-[1-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)piperidin-3-yl]methanone has a molecular weight of 358.46 g/mol, XLogP of 3.14, 3 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-propan-2-yl-1,2,4-thiadiazol-5-yl)piperidin-3-yl]methanone is sourced from PubChem (CID 163354710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).