4-(2-ethylpiperidin-1-yl)-4-oxo-N-(5-propyl-1,3,4-thiadiazol-2-yl)butanamide

C16H26N4O2S — CID 663442

IUPAC4-(2-ethylpiperidin-1-yl)-4-oxo-N-(5-propyl-1,3,4-thiadiazol-2-yl)butanamide
SMILESCCCc1nnc(NC(=O)CCC(=O)N2CCCCC2CC)s1
InChIInChI=1S/C16H26N4O2S/c1-3-7-14-18-19-16(23-14)17-13(21)9-10-15(22)20-11-6-5-8-12(20)4-2/h12H,3-11H2,1-2H3,(H,17,19,21)
InChIKeyVLFVTHDRWGOHRZ-UHFFFAOYSA-N
MW338.48 g/mol
LogP3.00
Rot. Bonds7

About 4-(2-ethylpiperidin-1-yl)-4-oxo-N-(5-propyl-1,3,4-thiadiazol-2-yl)butanamide

4-(2-ethylpiperidin-1-yl)-4-oxo-N-(5-propyl-1,3,4-thiadiazol-2-yl)butanamide (PubChem CID 663442) has the molecular formula C16H26N4O2S and a molecular weight of 338.48 g/mol. Its IUPAC name is 4-(2-ethylpiperidin-1-yl)-4-oxo-N-(5-propyl-1,3,4-thiadiazol-2-yl)butanamide.

Molecular Properties

Compound Name4-(2-ethylpiperidin-1-yl)-4-oxo-N-(5-propyl-1,3,4-thiadiazol-2-yl)butanamide
PubChem CID663442
Molecular FormulaC16H26N4O2S
Molecular Weight338.48 g/mol
Exact Mass338.18
IUPAC Name4-(2-ethylpiperidin-1-yl)-4-oxo-N-(5-propyl-1,3,4-thiadiazol-2-yl)butanamide
SMILESCCCc1nnc(NC(=O)CCC(=O)N2CCCCC2CC)s1
InChIInChI=1S/C16H26N4O2S/c1-3-7-14-18-19-16(23-14)17-13(21)9-10-15(22)20-11-6-5-8-12(20)4-2/h12H,3-11H2,1-2H3,(H,17,19,21)
InChIKeyVLFVTHDRWGOHRZ-UHFFFAOYSA-N
XLogP3.00
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.48
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-cyclopentyl-N'-(5-propyl-1,3,4-thiadiazol-2-yl)butanediamide
CID 939105
N1-cyclopropyl-N4-(5-propyl-1,3,4-thiadiazol-2-yl)succinamide
CID 940989
N-cyclopentyl-N'-(5-ethyl-1,3,4-thiadiazol-2-yl)butanediamide
CID 941794
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
Piperidine-1,4-dicarboxylic acid 1-cyclohexylamide 4-[(5-ethyl-[1,3,4]thiadiazol-2-yl)-amide]
CID 656355
4-(4-cyclohexylpiperazin-1-yl)-4-oxo-N-(5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl)butanamide
CID 664533
N-cyclohexyl-N'-(5-propyl-1,3,4-thiadiazol-2-yl)butanediamide
CID 944624
N-(5-Methyl-1,3,4-thiadiazol-2-YL)-4-(4-methylpiperidin-1-YL)-4-oxobutanamide
CID 663862
N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-4-oxo-4-piperidin-1-ylbutanamide
CID 1397851
N-Cyclooctyl-N'-(5-isopropyl-[1,3,4]thiadiazol-2-yl)-succinamide
CID 1602787

Frequently Asked Questions

What is the IUPAC name of 4-(2-ethylpiperidin-1-yl)-4-oxo-N-(5-propyl-1,3,4-thiadiazol-2-yl)butanamide?
The IUPAC name of 4-(2-ethylpiperidin-1-yl)-4-oxo-N-(5-propyl-1,3,4-thiadiazol-2-yl)butanamide (CID 663442) is 4-(2-ethylpiperidin-1-yl)-4-oxo-N-(5-propyl-1,3,4-thiadiazol-2-yl)butanamide.
What is the SMILES notation for 4-(2-ethylpiperidin-1-yl)-4-oxo-N-(5-propyl-1,3,4-thiadiazol-2-yl)butanamide?
The canonical SMILES for 4-(2-ethylpiperidin-1-yl)-4-oxo-N-(5-propyl-1,3,4-thiadiazol-2-yl)butanamide is CCCc1nnc(NC(=O)CCC(=O)N2CCCCC2CC)s1.
What is the InChIKey of 4-(2-ethylpiperidin-1-yl)-4-oxo-N-(5-propyl-1,3,4-thiadiazol-2-yl)butanamide?
The InChIKey is VLFVTHDRWGOHRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4O2S/c1-3-7-14-18-19-16(23-14)17-13(21)9-10-15(22)20-11-6-5-8-12(20)4-2/h12H,3-11H2,1-2H3,(H,17,19,21).
What are the key properties of 4-(2-ethylpiperidin-1-yl)-4-oxo-N-(5-propyl-1,3,4-thiadiazol-2-yl)butanamide?
4-(2-ethylpiperidin-1-yl)-4-oxo-N-(5-propyl-1,3,4-thiadiazol-2-yl)butanamide has a molecular weight of 338.48 g/mol, XLogP of 3.00, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-ethylpiperidin-1-yl)-4-oxo-N-(5-propyl-1,3,4-thiadiazol-2-yl)butanamide is sourced from PubChem (CID 663442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).