N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-4-oxo-4-piperidin-1-ylbutanamide

C17H26N4O2S — CID 1397851

IUPACN-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-4-oxo-4-piperidin-1-ylbutanamide
SMILESO=C(CCC(=O)N1CCCCC1)Nc1nnc(C2CCCCC2)s1
InChIInChI=1S/C17H26N4O2S/c22-14(9-10-15(23)21-11-5-2-6-12-21)18-17-20-19-16(24-17)13-7-3-1-4-8-13/h13H,1-12H2,(H,18,20,22)
InChIKeyJSCVIONRMQMWBY-UHFFFAOYSA-N
MW350.49 g/mol
LogP3.32
Rot. Bonds5

About N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-4-oxo-4-piperidin-1-ylbutanamide

N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-4-oxo-4-piperidin-1-ylbutanamide (PubChem CID 1397851) has the molecular formula C17H26N4O2S and a molecular weight of 350.49 g/mol. Its IUPAC name is N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-4-oxo-4-piperidin-1-ylbutanamide.

Molecular Properties

Compound NameN-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-4-oxo-4-piperidin-1-ylbutanamide
PubChem CID1397851
Molecular FormulaC17H26N4O2S
Molecular Weight350.49 g/mol
Exact Mass350.18
IUPAC NameN-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-4-oxo-4-piperidin-1-ylbutanamide
SMILESO=C(CCC(=O)N1CCCCC1)Nc1nnc(C2CCCCC2)s1
InChIInChI=1S/C17H26N4O2S/c22-14(9-10-15(23)21-11-5-2-6-12-21)18-17-20-19-16(24-17)13-7-3-1-4-8-13/h13H,1-12H2,(H,18,20,22)
InChIKeyJSCVIONRMQMWBY-UHFFFAOYSA-N
XLogP3.32
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.49
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-oxo-4-(piperidin-1-yl)-N-[(2Z)-5-propyl-1,3,4-thiadiazol-2(3H)-ylidene]butanamide
CID 945634
1-cyclohexyl-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-5-oxo-3-pyrrolidinecarboxamide
CID 2985033
4-(4-cyclohexylpiperazin-1-yl)-4-oxo-N-[(2Z)-5-(propan-2-yl)-1,3,4-thiadiazol-2(3H)-ylidene]butanamide
CID 664087
N-(5-Cyclohexyl-[1,3,4]thiadiazol-2-yl)-4-(1,4-dioxa-8-aza-spiro[4.5]dec-8-yl)-4-oxo-butyramide
CID 1397869
Piperidine-1,4-dicarboxylic acid 1-cyclohexylamide 4-[(5-ethyl-[1,3,4]thiadiazol-2-yl)-amide]
CID 656355
N-[5-(2-piperidin-1-ylethyl)-1,3,4-thiadiazol-2-yl]cyclohexanecarboxamide
CID 665281
N-(5-Methyl-1,3,4-thiadiazol-2-YL)-4-(4-methylpiperidin-1-YL)-4-oxobutanamide
CID 663862
N-cyclooctyl-N'-[(2Z)-5-(2-methylpropyl)-1,3,4-thiadiazol-2(3H)-ylidene]butanediamide
CID 1624671
N-[(2Z)-5-(2-methylpropyl)-1,3,4-thiadiazol-2(3H)-ylidene]-4-oxo-4-(piperidin-1-yl)butanamide
CID 942712
Butyramide, N-(5-cyclohexyl-[1,3,4]thiadiazol-2-yl)-4-(2-methylpiperidin-1-yl)-4-oxo-
CID 4921589
N1-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-N4-cyclopropylsuccinamide
CID 663805
4-(3,5-dimethylpiperidin-1-yl)-4-oxo-N-[(2Z)-5-(propan-2-yl)-1,3,4-thiadiazol-2(3H)-ylidene]butanamide
CID 3547284

Frequently Asked Questions

What is the IUPAC name of N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-4-oxo-4-piperidin-1-ylbutanamide?
The IUPAC name of N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-4-oxo-4-piperidin-1-ylbutanamide (CID 1397851) is N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-4-oxo-4-piperidin-1-ylbutanamide.
What is the SMILES notation for N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-4-oxo-4-piperidin-1-ylbutanamide?
The canonical SMILES for N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-4-oxo-4-piperidin-1-ylbutanamide is O=C(CCC(=O)N1CCCCC1)Nc1nnc(C2CCCCC2)s1.
What is the InChIKey of N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-4-oxo-4-piperidin-1-ylbutanamide?
The InChIKey is JSCVIONRMQMWBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N4O2S/c22-14(9-10-15(23)21-11-5-2-6-12-21)18-17-20-19-16(24-17)13-7-3-1-4-8-13/h13H,1-12H2,(H,18,20,22).
What are the key properties of N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-4-oxo-4-piperidin-1-ylbutanamide?
N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-4-oxo-4-piperidin-1-ylbutanamide has a molecular weight of 350.49 g/mol, XLogP of 3.32, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-4-oxo-4-piperidin-1-ylbutanamide is sourced from PubChem (CID 1397851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).