4-(5-acetylthiophen-2-yl)-N-[[4-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]-1-methylpiperidin-4-yl]methyl]butanamide

C26H30FN3O3S — CID 71127828

IUPAC4-(5-acetylthiophen-2-yl)-N-[[4-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]-1-methylpiperidin-4-yl]methyl]butanamide
SMILESCC(=O)c1ccc(CCCC(=O)NCC2(c3coc(-c4ccc(F)cc4)n3)CCN(C)CC2)s1
InChIInChI=1S/C26H30FN3O3S/c1-18(31)22-11-10-21(34-22)4-3-5-24(32)28-17-26(12-14-30(2)15-13-26)23-16-33-25(29-23)19-6-8-20(27)9-7-19/h6-11,16H,3-5,12-15,17H2,1-2H3,(H,28,32)
InChIKeyAUTBLHQWIIXNLS-UHFFFAOYSA-N
MW483.61 g/mol
LogP4.85
Rot. Bonds9

About 4-(5-acetylthiophen-2-yl)-N-[[4-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]-1-methylpiperidin-4-yl]methyl]butanamide

4-(5-acetylthiophen-2-yl)-N-[[4-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]-1-methylpiperidin-4-yl]methyl]butanamide (PubChem CID 71127828) has the molecular formula C26H30FN3O3S and a molecular weight of 483.61 g/mol. Its IUPAC name is 4-(5-acetylthiophen-2-yl)-N-[[4-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]-1-methylpiperidin-4-yl]methyl]butanamide.

Molecular Properties

Compound Name4-(5-acetylthiophen-2-yl)-N-[[4-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]-1-methylpiperidin-4-yl]methyl]butanamide
PubChem CID71127828
Molecular FormulaC26H30FN3O3S
Molecular Weight483.61 g/mol
Exact Mass483.20
IUPAC Name4-(5-acetylthiophen-2-yl)-N-[[4-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]-1-methylpiperidin-4-yl]methyl]butanamide
SMILESCC(=O)c1ccc(CCCC(=O)NCC2(c3coc(-c4ccc(F)cc4)n3)CCN(C)CC2)s1
InChIInChI=1S/C26H30FN3O3S/c1-18(31)22-11-10-21(34-22)4-3-5-24(32)28-17-26(12-14-30(2)15-13-26)23-16-33-25(29-23)19-6-8-20(27)9-7-19/h6-11,16H,3-5,12-15,17H2,1-2H3,(H,28,32)
InChIKeyAUTBLHQWIIXNLS-UHFFFAOYSA-N
XLogP4.85
TPSA75.44 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.61
LogP ≤ 54.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(5-acetylthiophen-2-yl)-N-[[4-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]-1-methylpiperidin-4-yl]methyl]butanamide?
The IUPAC name of 4-(5-acetylthiophen-2-yl)-N-[[4-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]-1-methylpiperidin-4-yl]methyl]butanamide (CID 71127828) is 4-(5-acetylthiophen-2-yl)-N-[[4-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]-1-methylpiperidin-4-yl]methyl]butanamide.
What is the SMILES notation for 4-(5-acetylthiophen-2-yl)-N-[[4-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]-1-methylpiperidin-4-yl]methyl]butanamide?
The canonical SMILES for 4-(5-acetylthiophen-2-yl)-N-[[4-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]-1-methylpiperidin-4-yl]methyl]butanamide is CC(=O)c1ccc(CCCC(=O)NCC2(c3coc(-c4ccc(F)cc4)n3)CCN(C)CC2)s1.
What is the InChIKey of 4-(5-acetylthiophen-2-yl)-N-[[4-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]-1-methylpiperidin-4-yl]methyl]butanamide?
The InChIKey is AUTBLHQWIIXNLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30FN3O3S/c1-18(31)22-11-10-21(34-22)4-3-5-24(32)28-17-26(12-14-30(2)15-13-26)23-16-33-25(29-23)19-6-8-20(27)9-7-19/h6-11,16H,3-5,12-15,17H2,1-2H3,(H,28,32).
What are the key properties of 4-(5-acetylthiophen-2-yl)-N-[[4-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]-1-methylpiperidin-4-yl]methyl]butanamide?
4-(5-acetylthiophen-2-yl)-N-[[4-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]-1-methylpiperidin-4-yl]methyl]butanamide has a molecular weight of 483.61 g/mol, XLogP of 4.85, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-acetylthiophen-2-yl)-N-[[4-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]-1-methylpiperidin-4-yl]methyl]butanamide is sourced from PubChem (CID 71127828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).