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

C15H23N3O3S — CID 53149402

IUPACN-[[2-[1-(2-ethoxyacetyl)piperidin-3-yl]-1,3-thiazol-4-yl]methyl]acetamide
SMILESCCOCC(=O)N1CCCC(c2nc(CNC(C)=O)cs2)C1
InChIInChI=1S/C15H23N3O3S/c1-3-21-9-14(20)18-6-4-5-12(8-18)15-17-13(10-22-15)7-16-11(2)19/h10,12H,3-9H2,1-2H3,(H,16,19)
InChIKeyOROVZPIDBMJKBR-UHFFFAOYSA-N
MW325.43 g/mol
LogP1.52
Rot. Bonds6

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

N-[[2-[1-(2-ethoxyacetyl)piperidin-3-yl]-1,3-thiazol-4-yl]methyl]acetamide (PubChem CID 53149402) has the molecular formula C15H23N3O3S and a molecular weight of 325.43 g/mol. Its IUPAC name is N-[[2-[1-(2-ethoxyacetyl)piperidin-3-yl]-1,3-thiazol-4-yl]methyl]acetamide.

Molecular Properties

Compound NameN-[[2-[1-(2-ethoxyacetyl)piperidin-3-yl]-1,3-thiazol-4-yl]methyl]acetamide
PubChem CID53149402
Molecular FormulaC15H23N3O3S
Molecular Weight325.43 g/mol
Exact Mass325.15
IUPAC NameN-[[2-[1-(2-ethoxyacetyl)piperidin-3-yl]-1,3-thiazol-4-yl]methyl]acetamide
SMILESCCOCC(=O)N1CCCC(c2nc(CNC(C)=O)cs2)C1
InChIInChI=1S/C15H23N3O3S/c1-3-21-9-14(20)18-6-4-5-12(8-18)15-17-13(10-22-15)7-16-11(2)19/h10,12H,3-9H2,1-2H3,(H,16,19)
InChIKeyOROVZPIDBMJKBR-UHFFFAOYSA-N
XLogP1.52
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.43
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[2-[1-(2-ethoxyacetyl)piperidin-3-yl]-1,3-thiazol-4-yl]methyl]acetamide?
The IUPAC name of N-[[2-[1-(2-ethoxyacetyl)piperidin-3-yl]-1,3-thiazol-4-yl]methyl]acetamide (CID 53149402) is N-[[2-[1-(2-ethoxyacetyl)piperidin-3-yl]-1,3-thiazol-4-yl]methyl]acetamide.
What is the SMILES notation for N-[[2-[1-(2-ethoxyacetyl)piperidin-3-yl]-1,3-thiazol-4-yl]methyl]acetamide?
The canonical SMILES for N-[[2-[1-(2-ethoxyacetyl)piperidin-3-yl]-1,3-thiazol-4-yl]methyl]acetamide is CCOCC(=O)N1CCCC(c2nc(CNC(C)=O)cs2)C1.
What is the InChIKey of N-[[2-[1-(2-ethoxyacetyl)piperidin-3-yl]-1,3-thiazol-4-yl]methyl]acetamide?
The InChIKey is OROVZPIDBMJKBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O3S/c1-3-21-9-14(20)18-6-4-5-12(8-18)15-17-13(10-22-15)7-16-11(2)19/h10,12H,3-9H2,1-2H3,(H,16,19).
What are the key properties of N-[[2-[1-(2-ethoxyacetyl)piperidin-3-yl]-1,3-thiazol-4-yl]methyl]acetamide?
N-[[2-[1-(2-ethoxyacetyl)piperidin-3-yl]-1,3-thiazol-4-yl]methyl]acetamide has a molecular weight of 325.43 g/mol, XLogP of 1.52, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[1-(2-ethoxyacetyl)piperidin-3-yl]-1,3-thiazol-4-yl]methyl]acetamide is sourced from PubChem (CID 53149402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).