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

C15H23N3OS — CID 51896016

IUPACcyclohexyl-[(3R)-3-(5-methyl-1,3,4-thiadiazol-2-yl)piperidin-1-yl]methanone
SMILESCc1nnc([C@@H]2CCCN(C(=O)C3CCCCC3)C2)s1
InChIInChI=1S/C15H23N3OS/c1-11-16-17-14(20-11)13-8-5-9-18(10-13)15(19)12-6-3-2-4-7-12/h12-13H,2-10H2,1H3/t13-/m1/s1
InChIKeyAZMZHQPOLVKQNH-CYBMUJFWSA-N
MW293.44 g/mol
LogP3.13
Rot. Bonds2

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

cyclohexyl-[(3R)-3-(5-methyl-1,3,4-thiadiazol-2-yl)piperidin-1-yl]methanone (PubChem CID 51896016) has the molecular formula C15H23N3OS and a molecular weight of 293.44 g/mol. Its IUPAC name is cyclohexyl-[(3R)-3-(5-methyl-1,3,4-thiadiazol-2-yl)piperidin-1-yl]methanone.

Molecular Properties

Compound Namecyclohexyl-[(3R)-3-(5-methyl-1,3,4-thiadiazol-2-yl)piperidin-1-yl]methanone
PubChem CID51896016
Molecular FormulaC15H23N3OS
Molecular Weight293.44 g/mol
Exact Mass293.16
IUPAC Namecyclohexyl-[(3R)-3-(5-methyl-1,3,4-thiadiazol-2-yl)piperidin-1-yl]methanone
SMILESCc1nnc([C@@H]2CCCN(C(=O)C3CCCCC3)C2)s1
InChIInChI=1S/C15H23N3OS/c1-11-16-17-14(20-11)13-8-5-9-18(10-13)15(19)12-6-3-2-4-7-12/h12-13H,2-10H2,1H3/t13-/m1/s1
InChIKeyAZMZHQPOLVKQNH-CYBMUJFWSA-N
XLogP3.13
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.44
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[(3S)-3-(5-methyl-1,3,4-thiadiazol-2-yl)piperidin-1-yl]-phenylmethanone
CID 30863910
(5-methyl-1,2-oxazol-3-yl)-[(3S)-3-(5-methyl-1,3,4-thiadiazol-2-yl)piperidin-1-yl]methanone
CID 30863871
[2-(5-cyclononyl-1,3,4-thiadiazol-2-yl)pyrrolidin-1-yl]-cyclooctylmethanone
CID 123189309
cyclopentyl-[(3R)-3-(pyrrolidine-1-carbonyl)piperidin-1-yl]methanone
CID 95051296
(3-chlorophenyl)-[(3R)-3-(5-methyl-1,3,4-thiadiazol-2-yl)piperidin-1-yl]methanone
CID 30863924
[(3S)-3-(5-methyl-1,3,4-thiadiazol-2-yl)piperidin-1-yl]-[2-(trifluoromethyl)phenyl]methanone
CID 30863955
N-(3-chlorophenyl)-5-[(3S)-1-(cyclobutanecarbonyl)piperidin-3-yl]-1,3,4-thiadiazole-2-carboxamide
CID 94088610
cyclobutyl-[(3R)-3-(2,3,5-trimethylimidazo[5,1-b][1,3]thiazol-7-yl)piperidin-1-yl]methanone
CID 95828336
5-[(3S)-1-(cyclohexylcarbamoyl)piperidin-3-yl]-N-(4-methylphenyl)-1,3,4-thiadiazole-2-carboxamide
CID 92879607
5-[1-(cyclopropanecarbonyl)piperidin-3-yl]-N-(3-fluorophenyl)-1,3,4-thiadiazole-2-carboxamide
CID 50817188
5-[2-[1-(cyclohexanecarbonyl)piperidin-3-yl]-1,3-thiazol-4-yl]pentan-2-one
CID 160913974
cycloheptyl(pyrrolidin-1-yl)methanone
CID 62778687

Frequently Asked Questions

What is the IUPAC name of cyclohexyl-[(3R)-3-(5-methyl-1,3,4-thiadiazol-2-yl)piperidin-1-yl]methanone?
The IUPAC name of cyclohexyl-[(3R)-3-(5-methyl-1,3,4-thiadiazol-2-yl)piperidin-1-yl]methanone (CID 51896016) is cyclohexyl-[(3R)-3-(5-methyl-1,3,4-thiadiazol-2-yl)piperidin-1-yl]methanone.
What is the SMILES notation for cyclohexyl-[(3R)-3-(5-methyl-1,3,4-thiadiazol-2-yl)piperidin-1-yl]methanone?
The canonical SMILES for cyclohexyl-[(3R)-3-(5-methyl-1,3,4-thiadiazol-2-yl)piperidin-1-yl]methanone is Cc1nnc([C@@H]2CCCN(C(=O)C3CCCCC3)C2)s1.
What is the InChIKey of cyclohexyl-[(3R)-3-(5-methyl-1,3,4-thiadiazol-2-yl)piperidin-1-yl]methanone?
The InChIKey is AZMZHQPOLVKQNH-CYBMUJFWSA-N. The full InChI is InChI=1S/C15H23N3OS/c1-11-16-17-14(20-11)13-8-5-9-18(10-13)15(19)12-6-3-2-4-7-12/h12-13H,2-10H2,1H3/t13-/m1/s1.
What are the key properties of cyclohexyl-[(3R)-3-(5-methyl-1,3,4-thiadiazol-2-yl)piperidin-1-yl]methanone?
cyclohexyl-[(3R)-3-(5-methyl-1,3,4-thiadiazol-2-yl)piperidin-1-yl]methanone has a molecular weight of 293.44 g/mol, XLogP of 3.13, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexyl-[(3R)-3-(5-methyl-1,3,4-thiadiazol-2-yl)piperidin-1-yl]methanone is sourced from PubChem (CID 51896016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).