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

C16H25N3O3S — CID 71842100

IUPACN-[[2-[1-(2-ethoxyacetyl)piperidin-3-yl]-1,3-thiazol-4-yl]methyl]propanamide
SMILESCCOCC(=O)N1CCCC(c2nc(CNC(=O)CC)cs2)C1
InChIInChI=1S/C16H25N3O3S/c1-3-14(20)17-8-13-11-23-16(18-13)12-6-5-7-19(9-12)15(21)10-22-4-2/h11-12H,3-10H2,1-2H3,(H,17,20)
InChIKeyJFCJLYMVUIAVLD-UHFFFAOYSA-N
MW339.46 g/mol
LogP1.91
Rot. Bonds7

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

N-[[2-[1-(2-ethoxyacetyl)piperidin-3-yl]-1,3-thiazol-4-yl]methyl]propanamide (PubChem CID 71842100) has the molecular formula C16H25N3O3S and a molecular weight of 339.46 g/mol. Its IUPAC name is N-[[2-[1-(2-ethoxyacetyl)piperidin-3-yl]-1,3-thiazol-4-yl]methyl]propanamide.

Molecular Properties

Compound NameN-[[2-[1-(2-ethoxyacetyl)piperidin-3-yl]-1,3-thiazol-4-yl]methyl]propanamide
PubChem CID71842100
Molecular FormulaC16H25N3O3S
Molecular Weight339.46 g/mol
Exact Mass339.16
IUPAC NameN-[[2-[1-(2-ethoxyacetyl)piperidin-3-yl]-1,3-thiazol-4-yl]methyl]propanamide
SMILESCCOCC(=O)N1CCCC(c2nc(CNC(=O)CC)cs2)C1
InChIInChI=1S/C16H25N3O3S/c1-3-14(20)17-8-13-11-23-16(18-13)12-6-5-7-19(9-12)15(21)10-22-4-2/h11-12H,3-10H2,1-2H3,(H,17,20)
InChIKeyJFCJLYMVUIAVLD-UHFFFAOYSA-N
XLogP1.91
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.46
LogP ≤ 51.91
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]propanamide?
The IUPAC name of N-[[2-[1-(2-ethoxyacetyl)piperidin-3-yl]-1,3-thiazol-4-yl]methyl]propanamide (CID 71842100) is N-[[2-[1-(2-ethoxyacetyl)piperidin-3-yl]-1,3-thiazol-4-yl]methyl]propanamide.
What is the SMILES notation for N-[[2-[1-(2-ethoxyacetyl)piperidin-3-yl]-1,3-thiazol-4-yl]methyl]propanamide?
The canonical SMILES for N-[[2-[1-(2-ethoxyacetyl)piperidin-3-yl]-1,3-thiazol-4-yl]methyl]propanamide is CCOCC(=O)N1CCCC(c2nc(CNC(=O)CC)cs2)C1.
What is the InChIKey of N-[[2-[1-(2-ethoxyacetyl)piperidin-3-yl]-1,3-thiazol-4-yl]methyl]propanamide?
The InChIKey is JFCJLYMVUIAVLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O3S/c1-3-14(20)17-8-13-11-23-16(18-13)12-6-5-7-19(9-12)15(21)10-22-4-2/h11-12H,3-10H2,1-2H3,(H,17,20).
What are the key properties of N-[[2-[1-(2-ethoxyacetyl)piperidin-3-yl]-1,3-thiazol-4-yl]methyl]propanamide?
N-[[2-[1-(2-ethoxyacetyl)piperidin-3-yl]-1,3-thiazol-4-yl]methyl]propanamide has a molecular weight of 339.46 g/mol, XLogP of 1.91, 7 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]propanamide is sourced from PubChem (CID 71842100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).