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

C52H62F2N6O7S2 — CID 158607252

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

4-(5-acetylthiophen-2-yl)butanoic acid;4-(5-acetylthiophen-2-yl)-N-[[4-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]-1-methylpiperidin-4-yl]methyl]butanamide;[4-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]-1-methylpiperidin-4-yl]methanamine (PubChem CID 158607252) has the molecular formula C52H62F2N6O7S2 and a molecular weight of 985.23 g/mol. Its IUPAC name is 4-(5-acetylthiophen-2-yl)butanoic acid;4-(5-acetylthiophen-2-yl)-N-[[4-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]-1-methylpiperidin-4-yl]methyl]butanamide;[4-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]-1-methylpiperidin-4-yl]methanamine.

Molecular Properties

• Compound Name: 4-(5-acetylthiophen-2-yl)butanoic acid;4-(5-acetylthiophen-2-yl)-N-[[4-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]-1-methylpiperidin-4-yl]methyl]butanamide;[4-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]-1-methylpiperidin-4-yl]methanamine
• PubChem CID: 158607252
• Molecular Formula: C52H62F2N6O7S2
• Molecular Weight: 985.23 g/mol
• Exact Mass: 984.41
• IUPAC Name: 4-(5-acetylthiophen-2-yl)butanoic acid;4-(5-acetylthiophen-2-yl)-N-[[4-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]-1-methylpiperidin-4-yl]methyl]butanamide;[4-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]-1-methylpiperidin-4-yl]methanamine
• SMILES: CC(=O)c1ccc(CCCC(=O)NCC2(c3coc(-c4ccc(F)cc4)n3)CCN(C)CC2)s1.CC(=O)c1ccc(CCCC(=O)O)s1.CN1CCC(CN)(c2coc(-c3ccc(F)cc3)n2)CC1
• InChI: InChI=1S/C26H30FN3O3S.C16H20FN3O.C10H12O3S/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;1-20-8-6-16(11-18,7-9-20)14-10-21-15(19-14)12-2-4-13(17)5-3-12;1-7(11)9-6-5-8(14-9)3-2-4-10(12)13/h6-11,16H,3-5,12-15,17H2,1-2H3,(H,28,32);2-5,10H,6-9,11,18H2,1H3;5-6H,2-4H2,1H3,(H,12,13)
• InChIKey: HWJRMOPUXQWJLB-UHFFFAOYSA-N
• XLogP: 9.61
• TPSA: 185.10 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 13
• Rotatable Bonds: 17
• Heavy Atoms: 69
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	985.23
LogP ≤ 5	9.61
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	13

Frequently Asked Questions

What is the IUPAC name of 4-(5-acetylthiophen-2-yl)butanoic acid;4-(5-acetylthiophen-2-yl)-N-[[4-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]-1-methylpiperidin-4-yl]methyl]butanamide;[4-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]-1-methylpiperidin-4-yl]methanamine?

The IUPAC name of 4-(5-acetylthiophen-2-yl)butanoic acid;4-(5-acetylthiophen-2-yl)-N-[[4-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]-1-methylpiperidin-4-yl]methyl]butanamide;[4-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]-1-methylpiperidin-4-yl]methanamine (CID 158607252) is 4-(5-acetylthiophen-2-yl)butanoic acid;4-(5-acetylthiophen-2-yl)-N-[[4-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]-1-methylpiperidin-4-yl]methyl]butanamide;[4-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]-1-methylpiperidin-4-yl]methanamine.

What is the SMILES notation for 4-(5-acetylthiophen-2-yl)butanoic acid;4-(5-acetylthiophen-2-yl)-N-[[4-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]-1-methylpiperidin-4-yl]methyl]butanamide;[4-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]-1-methylpiperidin-4-yl]methanamine?

The canonical SMILES for 4-(5-acetylthiophen-2-yl)butanoic acid;4-(5-acetylthiophen-2-yl)-N-[[4-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]-1-methylpiperidin-4-yl]methyl]butanamide;[4-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]-1-methylpiperidin-4-yl]methanamine is CC(=O)c1ccc(CCCC(=O)NCC2(c3coc(-c4ccc(F)cc4)n3)CCN(C)CC2)s1.CC(=O)c1ccc(CCCC(=O)O)s1.CN1CCC(CN)(c2coc(-c3ccc(F)cc3)n2)CC1.

What is the InChIKey of 4-(5-acetylthiophen-2-yl)butanoic acid;4-(5-acetylthiophen-2-yl)-N-[[4-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]-1-methylpiperidin-4-yl]methyl]butanamide;[4-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]-1-methylpiperidin-4-yl]methanamine?

The InChIKey is HWJRMOPUXQWJLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30FN3O3S.C16H20FN3O.C10H12O3S/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;1-20-8-6-16(11-18,7-9-20)14-10-21-15(19-14)12-2-4-13(17)5-3-12;1-7(11)9-6-5-8(14-9)3-2-4-10(12)13/h6-11,16H,3-5,12-15,17H2,1-2H3,(H,28,32);2-5,10H,6-9,11,18H2,1H3;5-6H,2-4H2,1H3,(H,12,13).

What are the key properties of 4-(5-acetylthiophen-2-yl)butanoic acid;4-(5-acetylthiophen-2-yl)-N-[[4-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]-1-methylpiperidin-4-yl]methyl]butanamide;[4-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]-1-methylpiperidin-4-yl]methanamine?

4-(5-acetylthiophen-2-yl)butanoic acid;4-(5-acetylthiophen-2-yl)-N-[[4-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]-1-methylpiperidin-4-yl]methyl]butanamide;[4-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]-1-methylpiperidin-4-yl]methanamine has a molecular weight of 985.23 g/mol, XLogP of 9.61, 17 rotatable bonds, 3 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(5-acetylthiophen-2-yl)butanoic acid;4-(5-acetylthiophen-2-yl)-N-[[4-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]-1-methylpiperidin-4-yl]methyl]butanamide;[4-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]-1-methylpiperidin-4-yl]methanamine is sourced from PubChem (CID 158607252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).