1-[2-[4-(4-chlorophenyl)piperidin-1-yl]-4-(trifluoromethyl)-1,3-oxazol-5-yl]-2-[6-[4-[2-(2-fluorophenyl)acetyl]piperazin-1-yl]-3-pyridinyl]ethanone

C34H32ClF4N5O3 — CID 58428469

About 1-[2-[4-(4-chlorophenyl)piperidin-1-yl]-4-(trifluoromethyl)-1,3-oxazol-5-yl]-2-[6-[4-[2-(2-fluorophenyl)acetyl]piperazin-1-yl]-3-pyridinyl]ethanone

1-[2-[4-(4-chlorophenyl)piperidin-1-yl]-4-(trifluoromethyl)-1,3-oxazol-5-yl]-2-[6-[4-[2-(2-fluorophenyl)acetyl]piperazin-1-yl]-3-pyridinyl]ethanone (PubChem CID 58428469) has the molecular formula C34H32ClF4N5O3 and a molecular weight of 670.11 g/mol. Its IUPAC name is 1-[2-[4-(4-chlorophenyl)piperidin-1-yl]-4-(trifluoromethyl)-1,3-oxazol-5-yl]-2-[6-[4-[2-(2-fluorophenyl)acetyl]piperazin-1-yl]-3-pyridinyl]ethanone.

Molecular Properties

• Compound Name: 1-[2-[4-(4-chlorophenyl)piperidin-1-yl]-4-(trifluoromethyl)-1,3-oxazol-5-yl]-2-[6-[4-[2-(2-fluorophenyl)acetyl]piperazin-1-yl]-3-pyridinyl]ethanone
• PubChem CID: 58428469
• Molecular Formula: C34H32ClF4N5O3
• Molecular Weight: 670.11 g/mol
• Exact Mass: 669.21
• IUPAC Name: 1-[2-[4-(4-chlorophenyl)piperidin-1-yl]-4-(trifluoromethyl)-1,3-oxazol-5-yl]-2-[6-[4-[2-(2-fluorophenyl)acetyl]piperazin-1-yl]-3-pyridinyl]ethanone
• SMILES: O=C(Cc1ccc(N2CCN(C(=O)Cc3ccccc3F)CC2)nc1)c1oc(N2CCC(c3ccc(Cl)cc3)CC2)nc1C(F)(F)F
• InChI: InChI=1S/C34H32ClF4N5O3/c35-26-8-6-23(7-9-26)24-11-13-44(14-12-24)33-41-32(34(37,38)39)31(47-33)28(45)19-22-5-10-29(40-21-22)42-15-17-43(18-16-42)30(46)20-25-3-1-2-4-27(25)36/h1-10,21,24H,11-20H2
• InChIKey: IXAPYZNOZAKRPL-UHFFFAOYSA-N
• XLogP: 6.58
• TPSA: 82.78 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 8
• Heavy Atoms: 47
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	670.11
LogP ≤ 5	6.58
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 1-[2-[4-(4-chlorophenyl)piperidin-1-yl]-4-(trifluoromethyl)-1,3-oxazol-5-yl]-2-[6-[4-[2-(2-fluorophenyl)acetyl]piperazin-1-yl]-3-pyridinyl]ethanone?

The IUPAC name of 1-[2-[4-(4-chlorophenyl)piperidin-1-yl]-4-(trifluoromethyl)-1,3-oxazol-5-yl]-2-[6-[4-[2-(2-fluorophenyl)acetyl]piperazin-1-yl]-3-pyridinyl]ethanone (CID 58428469) is 1-[2-[4-(4-chlorophenyl)piperidin-1-yl]-4-(trifluoromethyl)-1,3-oxazol-5-yl]-2-[6-[4-[2-(2-fluorophenyl)acetyl]piperazin-1-yl]-3-pyridinyl]ethanone.

What is the SMILES notation for 1-[2-[4-(4-chlorophenyl)piperidin-1-yl]-4-(trifluoromethyl)-1,3-oxazol-5-yl]-2-[6-[4-[2-(2-fluorophenyl)acetyl]piperazin-1-yl]-3-pyridinyl]ethanone?

The canonical SMILES for 1-[2-[4-(4-chlorophenyl)piperidin-1-yl]-4-(trifluoromethyl)-1,3-oxazol-5-yl]-2-[6-[4-[2-(2-fluorophenyl)acetyl]piperazin-1-yl]-3-pyridinyl]ethanone is O=C(Cc1ccc(N2CCN(C(=O)Cc3ccccc3F)CC2)nc1)c1oc(N2CCC(c3ccc(Cl)cc3)CC2)nc1C(F)(F)F.

What is the InChIKey of 1-[2-[4-(4-chlorophenyl)piperidin-1-yl]-4-(trifluoromethyl)-1,3-oxazol-5-yl]-2-[6-[4-[2-(2-fluorophenyl)acetyl]piperazin-1-yl]-3-pyridinyl]ethanone?

The InChIKey is IXAPYZNOZAKRPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H32ClF4N5O3/c35-26-8-6-23(7-9-26)24-11-13-44(14-12-24)33-41-32(34(37,38)39)31(47-33)28(45)19-22-5-10-29(40-21-22)42-15-17-43(18-16-42)30(46)20-25-3-1-2-4-27(25)36/h1-10,21,24H,11-20H2.

What are the key properties of 1-[2-[4-(4-chlorophenyl)piperidin-1-yl]-4-(trifluoromethyl)-1,3-oxazol-5-yl]-2-[6-[4-[2-(2-fluorophenyl)acetyl]piperazin-1-yl]-3-pyridinyl]ethanone?

1-[2-[4-(4-chlorophenyl)piperidin-1-yl]-4-(trifluoromethyl)-1,3-oxazol-5-yl]-2-[6-[4-[2-(2-fluorophenyl)acetyl]piperazin-1-yl]-3-pyridinyl]ethanone has a molecular weight of 670.11 g/mol, XLogP of 6.58, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[2-[4-(4-chlorophenyl)piperidin-1-yl]-4-(trifluoromethyl)-1,3-oxazol-5-yl]-2-[6-[4-[2-(2-fluorophenyl)acetyl]piperazin-1-yl]-3-pyridinyl]ethanone is sourced from PubChem (CID 58428469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).