2-(3-methylpiperidin-1-yl)-N-[6-[4-(3,3,3-trifluoro-2-hydroxypropanoyl)piperazin-1-yl]-3-pyridinyl]-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide

C23H26F6N6O4 — CID 46207782

About 2-(3-methylpiperidin-1-yl)-N-[6-[4-(3,3,3-trifluoro-2-hydroxypropanoyl)piperazin-1-yl]-3-pyridinyl]-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide

2-(3-methylpiperidin-1-yl)-N-[6-[4-(3,3,3-trifluoro-2-hydroxypropanoyl)piperazin-1-yl]-3-pyridinyl]-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide (PubChem CID 46207782) has the molecular formula C23H26F6N6O4 and a molecular weight of 564.49 g/mol. Its IUPAC name is 2-(3-methylpiperidin-1-yl)-N-[6-[4-(3,3,3-trifluoro-2-hydroxypropanoyl)piperazin-1-yl]-3-pyridinyl]-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide.

Molecular Properties

• Compound Name: 2-(3-methylpiperidin-1-yl)-N-[6-[4-(3,3,3-trifluoro-2-hydroxypropanoyl)piperazin-1-yl]-3-pyridinyl]-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide
• PubChem CID: 46207782
• Molecular Formula: C23H26F6N6O4
• Molecular Weight: 564.49 g/mol
• Exact Mass: 564.19
• IUPAC Name: 2-(3-methylpiperidin-1-yl)-N-[6-[4-(3,3,3-trifluoro-2-hydroxypropanoyl)piperazin-1-yl]-3-pyridinyl]-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide
• SMILES: CC1CCCN(c2nc(C(F)(F)F)c(C(=O)Nc3ccc(N4CCN(C(=O)C(O)C(F)(F)F)CC4)nc3)o2)C1
• InChI: InChI=1S/C23H26F6N6O4/c1-13-3-2-6-35(12-13)21-32-17(22(24,25)26)16(39-21)19(37)31-14-4-5-15(30-11-14)33-7-9-34(10-8-33)20(38)18(36)23(27,28)29/h4-5,11,13,18,36H,2-3,6-10,12H2,1H3,(H,31,37)
• InChIKey: BYKAQSRCGUYVHI-UHFFFAOYSA-N
• XLogP: 3.15
• TPSA: 115.04 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 5
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	564.49
LogP ≤ 5	3.15
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 2-(3-methylpiperidin-1-yl)-N-[6-[4-(3,3,3-trifluoro-2-hydroxypropanoyl)piperazin-1-yl]-3-pyridinyl]-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide?

The IUPAC name of 2-(3-methylpiperidin-1-yl)-N-[6-[4-(3,3,3-trifluoro-2-hydroxypropanoyl)piperazin-1-yl]-3-pyridinyl]-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide (CID 46207782) is 2-(3-methylpiperidin-1-yl)-N-[6-[4-(3,3,3-trifluoro-2-hydroxypropanoyl)piperazin-1-yl]-3-pyridinyl]-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide.

What is the SMILES notation for 2-(3-methylpiperidin-1-yl)-N-[6-[4-(3,3,3-trifluoro-2-hydroxypropanoyl)piperazin-1-yl]-3-pyridinyl]-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide?

The canonical SMILES for 2-(3-methylpiperidin-1-yl)-N-[6-[4-(3,3,3-trifluoro-2-hydroxypropanoyl)piperazin-1-yl]-3-pyridinyl]-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide is CC1CCCN(c2nc(C(F)(F)F)c(C(=O)Nc3ccc(N4CCN(C(=O)C(O)C(F)(F)F)CC4)nc3)o2)C1.

What is the InChIKey of 2-(3-methylpiperidin-1-yl)-N-[6-[4-(3,3,3-trifluoro-2-hydroxypropanoyl)piperazin-1-yl]-3-pyridinyl]-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide?

The InChIKey is BYKAQSRCGUYVHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26F6N6O4/c1-13-3-2-6-35(12-13)21-32-17(22(24,25)26)16(39-21)19(37)31-14-4-5-15(30-11-14)33-7-9-34(10-8-33)20(38)18(36)23(27,28)29/h4-5,11,13,18,36H,2-3,6-10,12H2,1H3,(H,31,37).

What are the key properties of 2-(3-methylpiperidin-1-yl)-N-[6-[4-(3,3,3-trifluoro-2-hydroxypropanoyl)piperazin-1-yl]-3-pyridinyl]-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide?

2-(3-methylpiperidin-1-yl)-N-[6-[4-(3,3,3-trifluoro-2-hydroxypropanoyl)piperazin-1-yl]-3-pyridinyl]-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide has a molecular weight of 564.49 g/mol, XLogP of 3.15, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(3-methylpiperidin-1-yl)-N-[6-[4-(3,3,3-trifluoro-2-hydroxypropanoyl)piperazin-1-yl]-3-pyridinyl]-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide is sourced from PubChem (CID 46207782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).