N-[4-[1-(2-methoxyacetyl)piperidin-4-yl]-1,3-thiazol-2-yl]acetamide

C13H19N3O3S — CID 95828323

IUPACN-[4-[1-(2-methoxyacetyl)piperidin-4-yl]-1,3-thiazol-2-yl]acetamide
SMILESCOCC(=O)N1CCC(c2csc(NC(C)=O)n2)CC1
InChIInChI=1S/C13H19N3O3S/c1-9(17)14-13-15-11(8-20-13)10-3-5-16(6-4-10)12(18)7-19-2/h8,10H,3-7H2,1-2H3,(H,14,15,17)
InChIKeyJPIDJOMXLVOFML-UHFFFAOYSA-N
MW297.38 g/mol
LogP1.45
Rot. Bonds4

About N-[4-[1-(2-methoxyacetyl)piperidin-4-yl]-1,3-thiazol-2-yl]acetamide

N-[4-[1-(2-methoxyacetyl)piperidin-4-yl]-1,3-thiazol-2-yl]acetamide (PubChem CID 95828323) has the molecular formula C13H19N3O3S and a molecular weight of 297.38 g/mol. Its IUPAC name is N-[4-[1-(2-methoxyacetyl)piperidin-4-yl]-1,3-thiazol-2-yl]acetamide.

Molecular Properties

Compound NameN-[4-[1-(2-methoxyacetyl)piperidin-4-yl]-1,3-thiazol-2-yl]acetamide
PubChem CID95828323
Molecular FormulaC13H19N3O3S
Molecular Weight297.38 g/mol
Exact Mass297.11
IUPAC NameN-[4-[1-(2-methoxyacetyl)piperidin-4-yl]-1,3-thiazol-2-yl]acetamide
SMILESCOCC(=O)N1CCC(c2csc(NC(C)=O)n2)CC1
InChIInChI=1S/C13H19N3O3S/c1-9(17)14-13-15-11(8-20-13)10-3-5-16(6-4-10)12(18)7-19-2/h8,10H,3-7H2,1-2H3,(H,14,15,17)
InChIKeyJPIDJOMXLVOFML-UHFFFAOYSA-N
XLogP1.45
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.38
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[4-[1-(2-methoxyacetyl)piperidin-4-yl]-1,3-thiazol-2-yl]acetamide?
The IUPAC name of N-[4-[1-(2-methoxyacetyl)piperidin-4-yl]-1,3-thiazol-2-yl]acetamide (CID 95828323) is N-[4-[1-(2-methoxyacetyl)piperidin-4-yl]-1,3-thiazol-2-yl]acetamide.
What is the SMILES notation for N-[4-[1-(2-methoxyacetyl)piperidin-4-yl]-1,3-thiazol-2-yl]acetamide?
The canonical SMILES for N-[4-[1-(2-methoxyacetyl)piperidin-4-yl]-1,3-thiazol-2-yl]acetamide is COCC(=O)N1CCC(c2csc(NC(C)=O)n2)CC1.
What is the InChIKey of N-[4-[1-(2-methoxyacetyl)piperidin-4-yl]-1,3-thiazol-2-yl]acetamide?
The InChIKey is JPIDJOMXLVOFML-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O3S/c1-9(17)14-13-15-11(8-20-13)10-3-5-16(6-4-10)12(18)7-19-2/h8,10H,3-7H2,1-2H3,(H,14,15,17).
What are the key properties of N-[4-[1-(2-methoxyacetyl)piperidin-4-yl]-1,3-thiazol-2-yl]acetamide?
N-[4-[1-(2-methoxyacetyl)piperidin-4-yl]-1,3-thiazol-2-yl]acetamide has a molecular weight of 297.38 g/mol, XLogP of 1.45, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[1-(2-methoxyacetyl)piperidin-4-yl]-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 95828323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).