2,6-dichloro-N-[1-[5-[2-oxo-2-[2-piperidin-1-yl-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethyl]-2-pyridinyl]piperidin-4-yl]benzamide

C₂₈H₂₈Cl₂F₃N₅O₃ — CID 58428553

About 2,6-dichloro-N-[1-[5-[2-oxo-2-[2-piperidin-1-yl-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethyl]-2-pyridinyl]piperidin-4-yl]benzamide

2,6-dichloro-N-[1-[5-[2-oxo-2-[2-piperidin-1-yl-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethyl]-2-pyridinyl]piperidin-4-yl]benzamide (PubChem CID 58428553) has the molecular formula C₂₈H₂₈Cl₂F₃N₅O₃ and a molecular weight of 610.46 g/mol. Its IUPAC name is 2,6-dichloro-N-[1-[5-[2-oxo-2-[2-piperidin-1-yl-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethyl]-2-pyridinyl]piperidin-4-yl]benzamide.

Molecular Properties

• Compound Name: 2,6-dichloro-N-[1-[5-[2-oxo-2-[2-piperidin-1-yl-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethyl]-2-pyridinyl]piperidin-4-yl]benzamide
• PubChem CID: 58428553
• Molecular Formula: C₂₈H₂₈Cl₂F₃N₅O₃
• Molecular Weight: 610.46 g/mol
• Exact Mass: 609.15
• IUPAC Name: 2,6-dichloro-N-[1-[5-[2-oxo-2-[2-piperidin-1-yl-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethyl]-2-pyridinyl]piperidin-4-yl]benzamide
• SMILES: O=C(Cc1ccc(N2CCC(NC(=O)c3c(Cl)cccc3Cl)CC2)nc1)c1oc(N2CCCCC2)nc1C(F)(F)F
• InChI: InChI=1S/C28H28Cl2F3N5O3/c29-19-5-4-6-20(30)23(19)26(40)35-18-9-13-37(14-10-18)22-8-7-17(16-34-22)15-21(39)24-25(28(31,32)33)36-27(41-24)38-11-2-1-3-12-38/h4-8,16,18H,1-3,9-15H2,(H,35,40)
• InChIKey: ZHWUYLLBZFCZMO-UHFFFAOYSA-N
• XLogP: 6.21
• TPSA: 91.57 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	610.46
LogP ≤ 5	6.21
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 2,6-dichloro-N-[1-[5-[2-oxo-2-[2-piperidin-1-yl-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethyl]-2-pyridinyl]piperidin-4-yl]benzamide?

The IUPAC name of 2,6-dichloro-N-[1-[5-[2-oxo-2-[2-piperidin-1-yl-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethyl]-2-pyridinyl]piperidin-4-yl]benzamide (CID 58428553) is 2,6-dichloro-N-[1-[5-[2-oxo-2-[2-piperidin-1-yl-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethyl]-2-pyridinyl]piperidin-4-yl]benzamide.

What is the SMILES notation for 2,6-dichloro-N-[1-[5-[2-oxo-2-[2-piperidin-1-yl-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethyl]-2-pyridinyl]piperidin-4-yl]benzamide?

The canonical SMILES for 2,6-dichloro-N-[1-[5-[2-oxo-2-[2-piperidin-1-yl-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethyl]-2-pyridinyl]piperidin-4-yl]benzamide is O=C(Cc1ccc(N2CCC(NC(=O)c3c(Cl)cccc3Cl)CC2)nc1)c1oc(N2CCCCC2)nc1C(F)(F)F.

What is the InChIKey of 2,6-dichloro-N-[1-[5-[2-oxo-2-[2-piperidin-1-yl-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethyl]-2-pyridinyl]piperidin-4-yl]benzamide?

The InChIKey is ZHWUYLLBZFCZMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H28Cl2F3N5O3/c29-19-5-4-6-20(30)23(19)26(40)35-18-9-13-37(14-10-18)22-8-7-17(16-34-22)15-21(39)24-25(28(31,32)33)36-27(41-24)38-11-2-1-3-12-38/h4-8,16,18H,1-3,9-15H2,(H,35,40).

What are the key properties of 2,6-dichloro-N-[1-[5-[2-oxo-2-[2-piperidin-1-yl-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethyl]-2-pyridinyl]piperidin-4-yl]benzamide?

2,6-dichloro-N-[1-[5-[2-oxo-2-[2-piperidin-1-yl-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethyl]-2-pyridinyl]piperidin-4-yl]benzamide has a molecular weight of 610.46 g/mol, XLogP of 6.21, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2,6-dichloro-N-[1-[5-[2-oxo-2-[2-piperidin-1-yl-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethyl]-2-pyridinyl]piperidin-4-yl]benzamide is sourced from PubChem (CID 58428553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 58428553 — identifiers, structure, computed properties (public domain)

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