2-methyl-N-[1-[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)ethyl]piperidin-4-yl]propanamide

C15H25N3O2S — CID 51116332

IUPAC2-methyl-N-[1-[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)ethyl]piperidin-4-yl]propanamide
SMILESCc1csc(=O)n1CCN1CCC(NC(=O)C(C)C)CC1
InChIInChI=1S/C15H25N3O2S/c1-11(2)14(19)16-13-4-6-17(7-5-13)8-9-18-12(3)10-21-15(18)20/h10-11,13H,4-9H2,1-3H3,(H,16,19)
InChIKeyZIXOBQYKABJYCY-UHFFFAOYSA-N
MW311.45 g/mol
LogP1.45
Rot. Bonds5

About 2-methyl-N-[1-[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)ethyl]piperidin-4-yl]propanamide

2-methyl-N-[1-[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)ethyl]piperidin-4-yl]propanamide (PubChem CID 51116332) has the molecular formula C15H25N3O2S and a molecular weight of 311.45 g/mol. Its IUPAC name is 2-methyl-N-[1-[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)ethyl]piperidin-4-yl]propanamide.

Molecular Properties

Compound Name2-methyl-N-[1-[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)ethyl]piperidin-4-yl]propanamide
PubChem CID51116332
Molecular FormulaC15H25N3O2S
Molecular Weight311.45 g/mol
Exact Mass311.17
IUPAC Name2-methyl-N-[1-[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)ethyl]piperidin-4-yl]propanamide
SMILESCc1csc(=O)n1CCN1CCC(NC(=O)C(C)C)CC1
InChIInChI=1S/C15H25N3O2S/c1-11(2)14(19)16-13-4-6-17(7-5-13)8-9-18-12(3)10-21-15(18)20/h10-11,13H,4-9H2,1-3H3,(H,16,19)
InChIKeyZIXOBQYKABJYCY-UHFFFAOYSA-N
XLogP1.45
TPSA54.34 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.45
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[1-[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)ethyl]piperidin-4-yl]propanamide?
The IUPAC name of 2-methyl-N-[1-[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)ethyl]piperidin-4-yl]propanamide (CID 51116332) is 2-methyl-N-[1-[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)ethyl]piperidin-4-yl]propanamide.
What is the SMILES notation for 2-methyl-N-[1-[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)ethyl]piperidin-4-yl]propanamide?
The canonical SMILES for 2-methyl-N-[1-[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)ethyl]piperidin-4-yl]propanamide is Cc1csc(=O)n1CCN1CCC(NC(=O)C(C)C)CC1.
What is the InChIKey of 2-methyl-N-[1-[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)ethyl]piperidin-4-yl]propanamide?
The InChIKey is ZIXOBQYKABJYCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O2S/c1-11(2)14(19)16-13-4-6-17(7-5-13)8-9-18-12(3)10-21-15(18)20/h10-11,13H,4-9H2,1-3H3,(H,16,19).
What are the key properties of 2-methyl-N-[1-[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)ethyl]piperidin-4-yl]propanamide?
2-methyl-N-[1-[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)ethyl]piperidin-4-yl]propanamide has a molecular weight of 311.45 g/mol, XLogP of 1.45, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[1-[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)ethyl]piperidin-4-yl]propanamide is sourced from PubChem (CID 51116332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).