2-[1-(thiadiazole-4-carbonyl)piperidin-2-yl]cyclohexan-1-one

C14H19N3O2S — CID 79553480

IUPAC2-[1-(thiadiazole-4-carbonyl)piperidin-2-yl]cyclohexan-1-one
SMILESO=C1CCCCC1C1CCCCN1C(=O)c1csnn1
InChIInChI=1S/C14H19N3O2S/c18-13-7-2-1-5-10(13)12-6-3-4-8-17(12)14(19)11-9-20-16-15-11/h9-10,12H,1-8H2
InChIKeyVKWGYPIAGITCLW-UHFFFAOYSA-N
MW293.39 g/mol
LogP2.29
Rot. Bonds2

About 2-[1-(thiadiazole-4-carbonyl)piperidin-2-yl]cyclohexan-1-one

2-[1-(thiadiazole-4-carbonyl)piperidin-2-yl]cyclohexan-1-one (PubChem CID 79553480) has the molecular formula C14H19N3O2S and a molecular weight of 293.39 g/mol. Its IUPAC name is 2-[1-(thiadiazole-4-carbonyl)piperidin-2-yl]cyclohexan-1-one.

Molecular Properties

Compound Name2-[1-(thiadiazole-4-carbonyl)piperidin-2-yl]cyclohexan-1-one
PubChem CID79553480
Molecular FormulaC14H19N3O2S
Molecular Weight293.39 g/mol
Exact Mass293.12
IUPAC Name2-[1-(thiadiazole-4-carbonyl)piperidin-2-yl]cyclohexan-1-one
SMILESO=C1CCCCC1C1CCCCN1C(=O)c1csnn1
InChIInChI=1S/C14H19N3O2S/c18-13-7-2-1-5-10(13)12-6-3-4-8-17(12)14(19)11-9-20-16-15-11/h9-10,12H,1-8H2
InChIKeyVKWGYPIAGITCLW-UHFFFAOYSA-N
XLogP2.29
TPSA63.16 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.39
LogP ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[1-(5-iodothiophene-3-carbonyl)piperidin-2-yl]cyclohexan-1-one
CID 79691487
(2-pyrrolidin-2-ylpyrrolidin-1-yl)-(thiadiazol-4-yl)methanone
CID 65216007
2-[1-(1,3-thiazole-5-carbonyl)pyrrolidin-2-yl]cyclohexan-1-one
CID 103766476
3-[1-(thiadiazole-4-carbonyl)piperidin-2-yl]propanoic acid
CID 65214242
2-[1-(thiolane-3-carbonyl)piperidin-2-yl]cyclohexan-1-one
CID 79553717
[4-[(2R)-1-(5-methylpyrazine-2-carbonyl)piperidin-2-yl]piperidin-1-yl]-(thiadiazol-4-yl)methanone
CID 92632709
2-[1-(5-bromothiophene-2-carbonyl)pyrrolidin-2-yl]cyclohexan-1-one
CID 79546011
(3,3-dimethyl-2,3a,4,5,6,6a-hexahydrocyclopenta[b]pyrrol-1-yl)-(thiadiazol-4-yl)methanone
CID 128539513
2-[1-(4-chlorobenzoyl)piperidin-2-yl]cyclopentan-1-one
CID 79538176
2-[1-(4-bromobenzoyl)pyrrolidin-2-yl]cyclohexan-1-one
CID 79539470
[(3aS,6aS)-5-methyl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrol-1-yl]-(thiadiazol-4-yl)methanone
CID 131686042
2-[1-(5-bromopyridine-2-carbonyl)pyrrolidin-2-yl]cyclopentan-1-one
CID 79547562

Frequently Asked Questions

What is the IUPAC name of 2-[1-(thiadiazole-4-carbonyl)piperidin-2-yl]cyclohexan-1-one?
The IUPAC name of 2-[1-(thiadiazole-4-carbonyl)piperidin-2-yl]cyclohexan-1-one (CID 79553480) is 2-[1-(thiadiazole-4-carbonyl)piperidin-2-yl]cyclohexan-1-one.
What is the SMILES notation for 2-[1-(thiadiazole-4-carbonyl)piperidin-2-yl]cyclohexan-1-one?
The canonical SMILES for 2-[1-(thiadiazole-4-carbonyl)piperidin-2-yl]cyclohexan-1-one is O=C1CCCCC1C1CCCCN1C(=O)c1csnn1.
What is the InChIKey of 2-[1-(thiadiazole-4-carbonyl)piperidin-2-yl]cyclohexan-1-one?
The InChIKey is VKWGYPIAGITCLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2S/c18-13-7-2-1-5-10(13)12-6-3-4-8-17(12)14(19)11-9-20-16-15-11/h9-10,12H,1-8H2.
What are the key properties of 2-[1-(thiadiazole-4-carbonyl)piperidin-2-yl]cyclohexan-1-one?
2-[1-(thiadiazole-4-carbonyl)piperidin-2-yl]cyclohexan-1-one has a molecular weight of 293.39 g/mol, XLogP of 2.29, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(thiadiazole-4-carbonyl)piperidin-2-yl]cyclohexan-1-one is sourced from PubChem (CID 79553480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).