(3-morpholin-4-ylphenyl)-[3-[6-[3-(trifluoromethyl)phenyl]-2-pyridinyl]piperidin-1-yl]methanone

C28H28F3N3O2 — CID 132773829

About (3-morpholin-4-ylphenyl)-[3-[6-[3-(trifluoromethyl)phenyl]-2-pyridinyl]piperidin-1-yl]methanone

(3-morpholin-4-ylphenyl)-[3-[6-[3-(trifluoromethyl)phenyl]-2-pyridinyl]piperidin-1-yl]methanone (PubChem CID 132773829) has the molecular formula C28H28F3N3O2 and a molecular weight of 495.55 g/mol. Its IUPAC name is (3-morpholin-4-ylphenyl)-[3-[6-[3-(trifluoromethyl)phenyl]-2-pyridinyl]piperidin-1-yl]methanone.

Molecular Properties

• Compound Name: (3-morpholin-4-ylphenyl)-[3-[6-[3-(trifluoromethyl)phenyl]-2-pyridinyl]piperidin-1-yl]methanone
• PubChem CID: 132773829
• Molecular Formula: C28H28F3N3O2
• Molecular Weight: 495.55 g/mol
• Exact Mass: 495.21
• IUPAC Name: (3-morpholin-4-ylphenyl)-[3-[6-[3-(trifluoromethyl)phenyl]-2-pyridinyl]piperidin-1-yl]methanone
• SMILES: O=C(c1cccc(N2CCOCC2)c1)N1CCCC(c2cccc(-c3cccc(C(F)(F)F)c3)n2)C1
• InChI: InChI=1S/C28H28F3N3O2/c29-28(30,31)23-8-1-5-20(17-23)25-10-3-11-26(32-25)22-7-4-12-34(19-22)27(35)21-6-2-9-24(18-21)33-13-15-36-16-14-33/h1-3,5-6,8-11,17-18,22H,4,7,12-16,19H2
• InChIKey: VVFFKCKTBCKKAA-UHFFFAOYSA-N
• XLogP: 5.62
• TPSA: 45.67 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	495.55
LogP ≤ 5	5.62
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of (3-morpholin-4-ylphenyl)-[3-[6-[3-(trifluoromethyl)phenyl]-2-pyridinyl]piperidin-1-yl]methanone?

The IUPAC name of (3-morpholin-4-ylphenyl)-[3-[6-[3-(trifluoromethyl)phenyl]-2-pyridinyl]piperidin-1-yl]methanone (CID 132773829) is (3-morpholin-4-ylphenyl)-[3-[6-[3-(trifluoromethyl)phenyl]-2-pyridinyl]piperidin-1-yl]methanone.

What is the SMILES notation for (3-morpholin-4-ylphenyl)-[3-[6-[3-(trifluoromethyl)phenyl]-2-pyridinyl]piperidin-1-yl]methanone?

The canonical SMILES for (3-morpholin-4-ylphenyl)-[3-[6-[3-(trifluoromethyl)phenyl]-2-pyridinyl]piperidin-1-yl]methanone is O=C(c1cccc(N2CCOCC2)c1)N1CCCC(c2cccc(-c3cccc(C(F)(F)F)c3)n2)C1.

What is the InChIKey of (3-morpholin-4-ylphenyl)-[3-[6-[3-(trifluoromethyl)phenyl]-2-pyridinyl]piperidin-1-yl]methanone?

The InChIKey is VVFFKCKTBCKKAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H28F3N3O2/c29-28(30,31)23-8-1-5-20(17-23)25-10-3-11-26(32-25)22-7-4-12-34(19-22)27(35)21-6-2-9-24(18-21)33-13-15-36-16-14-33/h1-3,5-6,8-11,17-18,22H,4,7,12-16,19H2.

What are the key properties of (3-morpholin-4-ylphenyl)-[3-[6-[3-(trifluoromethyl)phenyl]-2-pyridinyl]piperidin-1-yl]methanone?

(3-morpholin-4-ylphenyl)-[3-[6-[3-(trifluoromethyl)phenyl]-2-pyridinyl]piperidin-1-yl]methanone has a molecular weight of 495.55 g/mol, XLogP of 5.62, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for (3-morpholin-4-ylphenyl)-[3-[6-[3-(trifluoromethyl)phenyl]-2-pyridinyl]piperidin-1-yl]methanone is sourced from PubChem (CID 132773829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).