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

C14H22N4O2S — CID 945634

IUPAC4-oxo-4-piperidin-1-yl-N-(5-propyl-1,3,4-thiadiazol-2-yl)butanamide
SMILESCCCc1nnc(NC(=O)CCC(=O)N2CCCCC2)s1
InChIInChI=1S/C14H22N4O2S/c1-2-6-12-16-17-14(21-12)15-11(19)7-8-13(20)18-9-4-3-5-10-18/h2-10H2,1H3,(H,15,17,19)
InChIKeyGQEUHDGYOKGBDA-UHFFFAOYSA-N
MW310.42 g/mol
LogP2.22
Rot. Bonds6

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

4-oxo-4-piperidin-1-yl-N-(5-propyl-1,3,4-thiadiazol-2-yl)butanamide (PubChem CID 945634) has the molecular formula C14H22N4O2S and a molecular weight of 310.42 g/mol. Its IUPAC name is 4-oxo-4-piperidin-1-yl-N-(5-propyl-1,3,4-thiadiazol-2-yl)butanamide.

Molecular Properties

Compound Name4-oxo-4-piperidin-1-yl-N-(5-propyl-1,3,4-thiadiazol-2-yl)butanamide
PubChem CID945634
Molecular FormulaC14H22N4O2S
Molecular Weight310.42 g/mol
Exact Mass310.15
IUPAC Name4-oxo-4-piperidin-1-yl-N-(5-propyl-1,3,4-thiadiazol-2-yl)butanamide
SMILESCCCc1nnc(NC(=O)CCC(=O)N2CCCCC2)s1
InChIInChI=1S/C14H22N4O2S/c1-2-6-12-16-17-14(21-12)15-11(19)7-8-13(20)18-9-4-3-5-10-18/h2-10H2,1H3,(H,15,17,19)
InChIKeyGQEUHDGYOKGBDA-UHFFFAOYSA-N
XLogP2.22
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.42
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-oxo-4-piperidin-1-yl-N-(5-propyl-1,3,4-thiadiazol-2-yl)butanamide?
The IUPAC name of 4-oxo-4-piperidin-1-yl-N-(5-propyl-1,3,4-thiadiazol-2-yl)butanamide (CID 945634) is 4-oxo-4-piperidin-1-yl-N-(5-propyl-1,3,4-thiadiazol-2-yl)butanamide.
What is the SMILES notation for 4-oxo-4-piperidin-1-yl-N-(5-propyl-1,3,4-thiadiazol-2-yl)butanamide?
The canonical SMILES for 4-oxo-4-piperidin-1-yl-N-(5-propyl-1,3,4-thiadiazol-2-yl)butanamide is CCCc1nnc(NC(=O)CCC(=O)N2CCCCC2)s1.
What is the InChIKey of 4-oxo-4-piperidin-1-yl-N-(5-propyl-1,3,4-thiadiazol-2-yl)butanamide?
The InChIKey is GQEUHDGYOKGBDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O2S/c1-2-6-12-16-17-14(21-12)15-11(19)7-8-13(20)18-9-4-3-5-10-18/h2-10H2,1H3,(H,15,17,19).
What are the key properties of 4-oxo-4-piperidin-1-yl-N-(5-propyl-1,3,4-thiadiazol-2-yl)butanamide?
4-oxo-4-piperidin-1-yl-N-(5-propyl-1,3,4-thiadiazol-2-yl)butanamide has a molecular weight of 310.42 g/mol, XLogP of 2.22, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-oxo-4-piperidin-1-yl-N-(5-propyl-1,3,4-thiadiazol-2-yl)butanamide is sourced from PubChem (CID 945634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).