N-[[5-[2-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]thiophen-2-yl]methyl]acetamide

C21H24FN3O2S — CID 19372841

IUPACN-[[5-[2-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]thiophen-2-yl]methyl]acetamide
SMILESCC(=O)NCc1ccc(CCN2CCC(c3noc4cc(F)ccc34)CC2)s1
InChIInChI=1S/C21H24FN3O2S/c1-14(26)23-13-18-4-3-17(28-18)8-11-25-9-6-15(7-10-25)21-19-5-2-16(22)12-20(19)27-24-21/h2-5,12,15H,6-11,13H2,1H3,(H,23,26)
InChIKeyXXXUUTZERSWWDI-UHFFFAOYSA-N
MW401.51 g/mol
LogP4.09
Rot. Bonds6

About N-[[5-[2-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]thiophen-2-yl]methyl]acetamide

N-[[5-[2-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]thiophen-2-yl]methyl]acetamide (PubChem CID 19372841) has the molecular formula C21H24FN3O2S and a molecular weight of 401.51 g/mol. Its IUPAC name is N-[[5-[2-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]thiophen-2-yl]methyl]acetamide.

Molecular Properties

Compound NameN-[[5-[2-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]thiophen-2-yl]methyl]acetamide
PubChem CID19372841
Molecular FormulaC21H24FN3O2S
Molecular Weight401.51 g/mol
Exact Mass401.16
IUPAC NameN-[[5-[2-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]thiophen-2-yl]methyl]acetamide
SMILESCC(=O)NCc1ccc(CCN2CCC(c3noc4cc(F)ccc34)CC2)s1
InChIInChI=1S/C21H24FN3O2S/c1-14(26)23-13-18-4-3-17(28-18)8-11-25-9-6-15(7-10-25)21-19-5-2-16(22)12-20(19)27-24-21/h2-5,12,15H,6-11,13H2,1H3,(H,23,26)
InChIKeyXXXUUTZERSWWDI-UHFFFAOYSA-N
XLogP4.09
TPSA58.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.51
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[[5-[2-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]thiophen-2-yl]methyl]acetamide with MolForge

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Related Compounds

N-[[5-[2-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]thiophen-2-yl]methyl]-2-phenylacetamide
CID 19372914
N-[[5-[4-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]butanoyl]-4-methylthiophen-2-yl]methyl]acetamide
CID 19372884
6-fluoro-3-(1-heptylpiperidin-4-yl)-1,2-benzoxazole
CID 174359166
N-[4-[3-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]propoxy]phenyl]acetamide
CID 15391752
3-[1-[2-(2,6-dimethylimidazo[2,1-b][1,3]thiazol-3-yl)ethyl]piperidin-4-yl]-6-fluoro-1,2-benzoxazole
CID 67698031
N-tert-butyl-2-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]acetamide
CID 155980716
1-[2-[4-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]butyl]-5,7-dihydro-4H-thieno[2,3-c]pyridin-6-yl]ethanone
CID 54392491
6-fluoro-3-[1-[2-(4-methylpyrazol-1-yl)ethyl]piperidin-4-yl]-1,2-benzoxazole
CID 163352118
3-ethyl-1-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]pentan-3-ol
CID 18467342
4-(6-fluoro-1,2-benzoxazol-3-yl)-N-[6-[[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidine-1-carbonyl]amino]hexyl]piperidine-1-carboxamide
CID 59651081
bis(but-2-enedioic acid);6-fluoro-3-[1-(3-piperidin-1-ylpropyl)piperidin-4-yl]-1,2-benzoxazole
CID 67070997
6-fluoro-3-[1-(4-pyrrol-1-ylbutyl)piperidin-4-yl]-1,2-benzoxazole
CID 141322820

Frequently Asked Questions

What is the IUPAC name of N-[[5-[2-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]thiophen-2-yl]methyl]acetamide?
The IUPAC name of N-[[5-[2-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]thiophen-2-yl]methyl]acetamide (CID 19372841) is N-[[5-[2-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]thiophen-2-yl]methyl]acetamide.
What is the SMILES notation for N-[[5-[2-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]thiophen-2-yl]methyl]acetamide?
The canonical SMILES for N-[[5-[2-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]thiophen-2-yl]methyl]acetamide is CC(=O)NCc1ccc(CCN2CCC(c3noc4cc(F)ccc34)CC2)s1.
What is the InChIKey of N-[[5-[2-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]thiophen-2-yl]methyl]acetamide?
The InChIKey is XXXUUTZERSWWDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24FN3O2S/c1-14(26)23-13-18-4-3-17(28-18)8-11-25-9-6-15(7-10-25)21-19-5-2-16(22)12-20(19)27-24-21/h2-5,12,15H,6-11,13H2,1H3,(H,23,26).
What are the key properties of N-[[5-[2-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]thiophen-2-yl]methyl]acetamide?
N-[[5-[2-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]thiophen-2-yl]methyl]acetamide has a molecular weight of 401.51 g/mol, XLogP of 4.09, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-[2-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]thiophen-2-yl]methyl]acetamide is sourced from PubChem (CID 19372841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).