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

C32H32F3N7O3 — CID 46212631

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

N-[6-[4-[(2-phenylphenyl)carbamoyl]piperazin-1-yl]-3-pyridinyl]-2-piperidin-1-yl-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide (PubChem CID 46212631) has the molecular formula C32H32F3N7O3 and a molecular weight of 619.65 g/mol. Its IUPAC name is N-[6-[4-[(2-phenylphenyl)carbamoyl]piperazin-1-yl]-3-pyridinyl]-2-piperidin-1-yl-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide.

Molecular Properties

• Compound Name: N-[6-[4-[(2-phenylphenyl)carbamoyl]piperazin-1-yl]-3-pyridinyl]-2-piperidin-1-yl-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide
• PubChem CID: 46212631
• Molecular Formula: C32H32F3N7O3
• Molecular Weight: 619.65 g/mol
• Exact Mass: 619.25
• IUPAC Name: N-[6-[4-[(2-phenylphenyl)carbamoyl]piperazin-1-yl]-3-pyridinyl]-2-piperidin-1-yl-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide
• SMILES: O=C(Nc1ccc(N2CCN(C(=O)Nc3ccccc3-c3ccccc3)CC2)nc1)c1oc(N2CCCCC2)nc1C(F)(F)F
• InChI: InChI=1S/C32H32F3N7O3/c33-32(34,35)28-27(45-31(39-28)42-15-7-2-8-16-42)29(43)37-23-13-14-26(36-21-23)40-17-19-41(20-18-40)30(44)38-25-12-6-5-11-24(25)22-9-3-1-4-10-22/h1,3-6,9-14,21H,2,7-8,15-20H2,(H,37,43)(H,38,44)
• InChIKey: ZPXHZGJMLTYAMV-UHFFFAOYSA-N
• XLogP: 6.35
• TPSA: 106.84 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 45
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	619.65
LogP ≤ 5	6.35
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of N-[6-[4-[(2-phenylphenyl)carbamoyl]piperazin-1-yl]-3-pyridinyl]-2-piperidin-1-yl-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide (CID 46212631) is N-[6-[4-[(2-phenylphenyl)carbamoyl]piperazin-1-yl]-3-pyridinyl]-2-piperidin-1-yl-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide.

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

The canonical SMILES for N-[6-[4-[(2-phenylphenyl)carbamoyl]piperazin-1-yl]-3-pyridinyl]-2-piperidin-1-yl-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide is O=C(Nc1ccc(N2CCN(C(=O)Nc3ccccc3-c3ccccc3)CC2)nc1)c1oc(N2CCCCC2)nc1C(F)(F)F.

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

The InChIKey is ZPXHZGJMLTYAMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H32F3N7O3/c33-32(34,35)28-27(45-31(39-28)42-15-7-2-8-16-42)29(43)37-23-13-14-26(36-21-23)40-17-19-41(20-18-40)30(44)38-25-12-6-5-11-24(25)22-9-3-1-4-10-22/h1,3-6,9-14,21H,2,7-8,15-20H2,(H,37,43)(H,38,44).

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

N-[6-[4-[(2-phenylphenyl)carbamoyl]piperazin-1-yl]-3-pyridinyl]-2-piperidin-1-yl-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide has a molecular weight of 619.65 g/mol, XLogP of 6.35, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[6-[4-[(2-phenylphenyl)carbamoyl]piperazin-1-yl]-3-pyridinyl]-2-piperidin-1-yl-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide is sourced from PubChem (CID 46212631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).