2-piperidin-1-yl-4-(trifluoromethyl)-N-[6-[4-[[2-(trifluoromethyl)phenyl]carbamoyl]piperazin-1-yl]-3-pyridinyl]-1,3-oxazole-5-carboxamide

C27H27F6N7O3 — CID 46212633

About 2-piperidin-1-yl-4-(trifluoromethyl)-N-[6-[4-[[2-(trifluoromethyl)phenyl]carbamoyl]piperazin-1-yl]-3-pyridinyl]-1,3-oxazole-5-carboxamide

2-piperidin-1-yl-4-(trifluoromethyl)-N-[6-[4-[[2-(trifluoromethyl)phenyl]carbamoyl]piperazin-1-yl]-3-pyridinyl]-1,3-oxazole-5-carboxamide (PubChem CID 46212633) has the molecular formula C27H27F6N7O3 and a molecular weight of 611.55 g/mol. Its IUPAC name is 2-piperidin-1-yl-4-(trifluoromethyl)-N-[6-[4-[[2-(trifluoromethyl)phenyl]carbamoyl]piperazin-1-yl]-3-pyridinyl]-1,3-oxazole-5-carboxamide.

Molecular Properties

• Compound Name: 2-piperidin-1-yl-4-(trifluoromethyl)-N-[6-[4-[[2-(trifluoromethyl)phenyl]carbamoyl]piperazin-1-yl]-3-pyridinyl]-1,3-oxazole-5-carboxamide
• PubChem CID: 46212633
• Molecular Formula: C27H27F6N7O3
• Molecular Weight: 611.55 g/mol
• Exact Mass: 611.21
• IUPAC Name: 2-piperidin-1-yl-4-(trifluoromethyl)-N-[6-[4-[[2-(trifluoromethyl)phenyl]carbamoyl]piperazin-1-yl]-3-pyridinyl]-1,3-oxazole-5-carboxamide
• SMILES: O=C(Nc1ccc(N2CCN(C(=O)Nc3ccccc3C(F)(F)F)CC2)nc1)c1oc(N2CCCCC2)nc1C(F)(F)F
• InChI: InChI=1S/C27H27F6N7O3/c28-26(29,30)18-6-2-3-7-19(18)36-24(42)39-14-12-38(13-15-39)20-9-8-17(16-34-20)35-23(41)21-22(27(31,32)33)37-25(43-21)40-10-4-1-5-11-40/h2-3,6-9,16H,1,4-5,10-15H2,(H,35,41)(H,36,42)
• InChIKey: WVNLUAKVGQYTAU-UHFFFAOYSA-N
• XLogP: 5.70
• TPSA: 106.84 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	611.55
LogP ≤ 5	5.70
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of 2-piperidin-1-yl-4-(trifluoromethyl)-N-[6-[4-[[2-(trifluoromethyl)phenyl]carbamoyl]piperazin-1-yl]-3-pyridinyl]-1,3-oxazole-5-carboxamide (CID 46212633) is 2-piperidin-1-yl-4-(trifluoromethyl)-N-[6-[4-[[2-(trifluoromethyl)phenyl]carbamoyl]piperazin-1-yl]-3-pyridinyl]-1,3-oxazole-5-carboxamide.

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

The canonical SMILES for 2-piperidin-1-yl-4-(trifluoromethyl)-N-[6-[4-[[2-(trifluoromethyl)phenyl]carbamoyl]piperazin-1-yl]-3-pyridinyl]-1,3-oxazole-5-carboxamide is O=C(Nc1ccc(N2CCN(C(=O)Nc3ccccc3C(F)(F)F)CC2)nc1)c1oc(N2CCCCC2)nc1C(F)(F)F.

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

The InChIKey is WVNLUAKVGQYTAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27F6N7O3/c28-26(29,30)18-6-2-3-7-19(18)36-24(42)39-14-12-38(13-15-39)20-9-8-17(16-34-20)35-23(41)21-22(27(31,32)33)37-25(43-21)40-10-4-1-5-11-40/h2-3,6-9,16H,1,4-5,10-15H2,(H,35,41)(H,36,42).

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

2-piperidin-1-yl-4-(trifluoromethyl)-N-[6-[4-[[2-(trifluoromethyl)phenyl]carbamoyl]piperazin-1-yl]-3-pyridinyl]-1,3-oxazole-5-carboxamide has a molecular weight of 611.55 g/mol, XLogP of 5.70, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-piperidin-1-yl-4-(trifluoromethyl)-N-[6-[4-[[2-(trifluoromethyl)phenyl]carbamoyl]piperazin-1-yl]-3-pyridinyl]-1,3-oxazole-5-carboxamide is sourced from PubChem (CID 46212633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).