4-(4-methylpiperidin-1-yl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)-4-oxobutanamide

C13H20N4O2S — CID 663862

IUPAC4-(4-methylpiperidin-1-yl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)-4-oxobutanamide
SMILESCc1nnc(NC(=O)CCC(=O)N2CCC(C)CC2)s1
InChIInChI=1S/C13H20N4O2S/c1-9-5-7-17(8-6-9)12(19)4-3-11(18)14-13-16-15-10(2)20-13/h9H,3-8H2,1-2H3,(H,14,16,18)
InChIKeyVGPIRUGKZMEGNU-UHFFFAOYSA-N
MW296.40 g/mol
LogP1.82
Rot. Bonds4

About 4-(4-methylpiperidin-1-yl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)-4-oxobutanamide

4-(4-methylpiperidin-1-yl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)-4-oxobutanamide (PubChem CID 663862) has the molecular formula C13H20N4O2S and a molecular weight of 296.40 g/mol. Its IUPAC name is 4-(4-methylpiperidin-1-yl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)-4-oxobutanamide.

Molecular Properties

Compound Name4-(4-methylpiperidin-1-yl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)-4-oxobutanamide
PubChem CID663862
Molecular FormulaC13H20N4O2S
Molecular Weight296.40 g/mol
Exact Mass296.13
IUPAC Name4-(4-methylpiperidin-1-yl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)-4-oxobutanamide
SMILESCc1nnc(NC(=O)CCC(=O)N2CCC(C)CC2)s1
InChIInChI=1S/C13H20N4O2S/c1-9-5-7-17(8-6-9)12(19)4-3-11(18)14-13-16-15-10(2)20-13/h9H,3-8H2,1-2H3,(H,14,16,18)
InChIKeyVGPIRUGKZMEGNU-UHFFFAOYSA-N
XLogP1.82
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.40
LogP ≤ 51.82
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-(2-Piperidin-1-yl-ethyl)-[1,3,4]thiadiazol-2-yl]-isobutyramide
CID 1399018
Piperidine-1,4-dicarboxylic acid 1-cyclohexylamide 4-[(5-ethyl-[1,3,4]thiadiazol-2-yl)-amide]
CID 656355
N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-4-oxo-4-piperidin-1-ylbutanamide
CID 1397851
N-[(2Z)-5-(2-methylpropyl)-1,3,4-thiadiazol-2(3H)-ylidene]-4-oxo-4-(piperidin-1-yl)butanamide
CID 942712
N-[5-(2-Piperidin-1-yl-ethyl)-[1,3,4]thiadiazol-2-yl]-butyramide
CID 1624767
Butyramide, N-(5-cyclohexyl-[1,3,4]thiadiazol-2-yl)-4-(2-methylpiperidin-1-yl)-4-oxo-
CID 4921589
N-cyclopentyl-N'-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]butanediamide
CID 942243
4-(azepan-1-yl)-4-oxo-N-(5-propyl-1,3,4-thiadiazol-2-yl)butanamide
CID 663630
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 4-(4-methylpiperidin-1-yl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)-4-oxobutanamide?
The IUPAC name of 4-(4-methylpiperidin-1-yl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)-4-oxobutanamide (CID 663862) is 4-(4-methylpiperidin-1-yl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)-4-oxobutanamide.
What is the SMILES notation for 4-(4-methylpiperidin-1-yl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)-4-oxobutanamide?
The canonical SMILES for 4-(4-methylpiperidin-1-yl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)-4-oxobutanamide is Cc1nnc(NC(=O)CCC(=O)N2CCC(C)CC2)s1.
What is the InChIKey of 4-(4-methylpiperidin-1-yl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)-4-oxobutanamide?
The InChIKey is VGPIRUGKZMEGNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O2S/c1-9-5-7-17(8-6-9)12(19)4-3-11(18)14-13-16-15-10(2)20-13/h9H,3-8H2,1-2H3,(H,14,16,18).
What are the key properties of 4-(4-methylpiperidin-1-yl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)-4-oxobutanamide?
4-(4-methylpiperidin-1-yl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)-4-oxobutanamide has a molecular weight of 296.40 g/mol, XLogP of 1.82, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methylpiperidin-1-yl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)-4-oxobutanamide is sourced from PubChem (CID 663862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).