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

C16H25N3O3S — CID 71842063

IUPACN-[[2-[1-(2-methoxyacetyl)piperidin-3-yl]-1,3-thiazol-4-yl]methyl]-2-methylpropanamide
SMILESCOCC(=O)N1CCCC(c2nc(CNC(=O)C(C)C)cs2)C1
InChIInChI=1S/C16H25N3O3S/c1-11(2)15(21)17-7-13-10-23-16(18-13)12-5-4-6-19(8-12)14(20)9-22-3/h10-12H,4-9H2,1-3H3,(H,17,21)
InChIKeyDSPJMEJIFVEWEG-UHFFFAOYSA-N
MW339.46 g/mol
LogP1.77
Rot. Bonds6

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

N-[[2-[1-(2-methoxyacetyl)piperidin-3-yl]-1,3-thiazol-4-yl]methyl]-2-methylpropanamide (PubChem CID 71842063) has the molecular formula C16H25N3O3S and a molecular weight of 339.46 g/mol. Its IUPAC name is N-[[2-[1-(2-methoxyacetyl)piperidin-3-yl]-1,3-thiazol-4-yl]methyl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[[2-[1-(2-methoxyacetyl)piperidin-3-yl]-1,3-thiazol-4-yl]methyl]-2-methylpropanamide
PubChem CID71842063
Molecular FormulaC16H25N3O3S
Molecular Weight339.46 g/mol
Exact Mass339.16
IUPAC NameN-[[2-[1-(2-methoxyacetyl)piperidin-3-yl]-1,3-thiazol-4-yl]methyl]-2-methylpropanamide
SMILESCOCC(=O)N1CCCC(c2nc(CNC(=O)C(C)C)cs2)C1
InChIInChI=1S/C16H25N3O3S/c1-11(2)15(21)17-7-13-10-23-16(18-13)12-5-4-6-19(8-12)14(20)9-22-3/h10-12H,4-9H2,1-3H3,(H,17,21)
InChIKeyDSPJMEJIFVEWEG-UHFFFAOYSA-N
XLogP1.77
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.46
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-methyl-N-[[2-(1-propanoylpiperidin-3-yl)-1,3-thiazol-4-yl]methyl]propanamide
CID 71842061
N-[[2-[1-(2-cyclohexylacetyl)piperidin-3-yl]-1,3-thiazol-4-yl]methyl]-2-methylpropanamide
CID 53149424
N-[2-[2-[(3R)-1-(2-methoxyacetyl)piperidin-3-yl]-1,3-thiazol-4-yl]ethyl]acetamide
CID 95097272
N-[[2-[(3S)-1-(4-fluorobenzoyl)piperidin-3-yl]-1,3-thiazol-4-yl]methyl]-2-methylpropanamide
CID 95097143
N-[[2-[(3S)-1-(3,5-difluorobenzoyl)piperidin-3-yl]-1,3-thiazol-4-yl]methyl]-2-methylpropanamide
CID 95097145
N-[[2-[1-(3,5-difluorobenzoyl)piperidin-3-yl]-1,3-thiazol-4-yl]methyl]-2-methylpropanamide
CID 53149430
2-methoxy-1-[(3R)-3-(4-methyl-1,3-thiazol-2-yl)piperidin-1-yl]ethanone
CID 95051897
2-methyl-N-[[2-[1-(2-methylbenzoyl)piperidin-3-yl]-1,3-thiazol-4-yl]methyl]propanamide
CID 53149441
2-methyl-N-[[2-[1-(3-methylbenzoyl)piperidin-3-yl]-1,3-thiazol-4-yl]methyl]propanamide
CID 71842059
N-[[2-[1-(2-cyclohexylacetyl)piperidin-4-yl]-1,3-thiazol-4-yl]methyl]-2-methylpropanamide
CID 53149358
N-[[2-[(3R)-1-butanoylpiperidin-3-yl]-1,3-thiazol-4-yl]methyl]cyclobutanecarboxamide
CID 95097187
N-[[2-[1-[2-(4-fluorophenyl)acetyl]piperidin-3-yl]-1,3-thiazol-4-yl]methyl]acetamide
CID 71842105

Frequently Asked Questions

What is the IUPAC name of N-[[2-[1-(2-methoxyacetyl)piperidin-3-yl]-1,3-thiazol-4-yl]methyl]-2-methylpropanamide?
The IUPAC name of N-[[2-[1-(2-methoxyacetyl)piperidin-3-yl]-1,3-thiazol-4-yl]methyl]-2-methylpropanamide (CID 71842063) is N-[[2-[1-(2-methoxyacetyl)piperidin-3-yl]-1,3-thiazol-4-yl]methyl]-2-methylpropanamide.
What is the SMILES notation for N-[[2-[1-(2-methoxyacetyl)piperidin-3-yl]-1,3-thiazol-4-yl]methyl]-2-methylpropanamide?
The canonical SMILES for N-[[2-[1-(2-methoxyacetyl)piperidin-3-yl]-1,3-thiazol-4-yl]methyl]-2-methylpropanamide is COCC(=O)N1CCCC(c2nc(CNC(=O)C(C)C)cs2)C1.
What is the InChIKey of N-[[2-[1-(2-methoxyacetyl)piperidin-3-yl]-1,3-thiazol-4-yl]methyl]-2-methylpropanamide?
The InChIKey is DSPJMEJIFVEWEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O3S/c1-11(2)15(21)17-7-13-10-23-16(18-13)12-5-4-6-19(8-12)14(20)9-22-3/h10-12H,4-9H2,1-3H3,(H,17,21).
What are the key properties of N-[[2-[1-(2-methoxyacetyl)piperidin-3-yl]-1,3-thiazol-4-yl]methyl]-2-methylpropanamide?
N-[[2-[1-(2-methoxyacetyl)piperidin-3-yl]-1,3-thiazol-4-yl]methyl]-2-methylpropanamide has a molecular weight of 339.46 g/mol, XLogP of 1.77, 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-methoxyacetyl)piperidin-3-yl]-1,3-thiazol-4-yl]methyl]-2-methylpropanamide is sourced from PubChem (CID 71842063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).