[(2R)-5-[4-(2-methoxyphenyl)piperazine-1-carbonyl]-2-phenyl-5-[4-(trifluoromethyl)phenoxy]piperidin-1-yl]-[4-(trifluoromethyl)-3-pyridinyl]methanone

C37H34F6N4O4 — CID 59648158

About [(2R)-5-[4-(2-methoxyphenyl)piperazine-1-carbonyl]-2-phenyl-5-[4-(trifluoromethyl)phenoxy]piperidin-1-yl]-[4-(trifluoromethyl)-3-pyridinyl]methanone

[(2R)-5-[4-(2-methoxyphenyl)piperazine-1-carbonyl]-2-phenyl-5-[4-(trifluoromethyl)phenoxy]piperidin-1-yl]-[4-(trifluoromethyl)-3-pyridinyl]methanone (PubChem CID 59648158) has the molecular formula C37H34F6N4O4 and a molecular weight of 712.69 g/mol. Its IUPAC name is [(2R)-5-[4-(2-methoxyphenyl)piperazine-1-carbonyl]-2-phenyl-5-[4-(trifluoromethyl)phenoxy]piperidin-1-yl]-[4-(trifluoromethyl)-3-pyridinyl]methanone.

Molecular Properties

• Compound Name: [(2R)-5-[4-(2-methoxyphenyl)piperazine-1-carbonyl]-2-phenyl-5-[4-(trifluoromethyl)phenoxy]piperidin-1-yl]-[4-(trifluoromethyl)-3-pyridinyl]methanone
• PubChem CID: 59648158
• Molecular Formula: C37H34F6N4O4
• Molecular Weight: 712.69 g/mol
• Exact Mass: 712.25
• IUPAC Name: [(2R)-5-[4-(2-methoxyphenyl)piperazine-1-carbonyl]-2-phenyl-5-[4-(trifluoromethyl)phenoxy]piperidin-1-yl]-[4-(trifluoromethyl)-3-pyridinyl]methanone
• SMILES: COc1ccccc1N1CCN(C(=O)C2(Oc3ccc(C(F)(F)F)cc3)CC[C@H](c3ccccc3)N(C(=O)c3cnccc3C(F)(F)F)C2)CC1
• InChI: InChI=1S/C37H34F6N4O4/c1-50-32-10-6-5-9-31(32)45-19-21-46(22-20-45)34(49)35(51-27-13-11-26(12-14-27)36(38,39)40)17-15-30(25-7-3-2-4-8-25)47(24-35)33(48)28-23-44-18-16-29(28)37(41,42)43/h2-14,16,18,23,30H,15,17,19-22,24H2,1H3/t30-,35?/m1/s1
• InChIKey: AWJXUMWQVBSJFO-OSRRZMJMSA-N
• XLogP: 7.27
• TPSA: 75.21 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 51
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	712.69
LogP ≤ 5	7.27
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of [(2R)-5-[4-(2-methoxyphenyl)piperazine-1-carbonyl]-2-phenyl-5-[4-(trifluoromethyl)phenoxy]piperidin-1-yl]-[4-(trifluoromethyl)-3-pyridinyl]methanone?

The IUPAC name of [(2R)-5-[4-(2-methoxyphenyl)piperazine-1-carbonyl]-2-phenyl-5-[4-(trifluoromethyl)phenoxy]piperidin-1-yl]-[4-(trifluoromethyl)-3-pyridinyl]methanone (CID 59648158) is [(2R)-5-[4-(2-methoxyphenyl)piperazine-1-carbonyl]-2-phenyl-5-[4-(trifluoromethyl)phenoxy]piperidin-1-yl]-[4-(trifluoromethyl)-3-pyridinyl]methanone.

What is the SMILES notation for [(2R)-5-[4-(2-methoxyphenyl)piperazine-1-carbonyl]-2-phenyl-5-[4-(trifluoromethyl)phenoxy]piperidin-1-yl]-[4-(trifluoromethyl)-3-pyridinyl]methanone?

The canonical SMILES for [(2R)-5-[4-(2-methoxyphenyl)piperazine-1-carbonyl]-2-phenyl-5-[4-(trifluoromethyl)phenoxy]piperidin-1-yl]-[4-(trifluoromethyl)-3-pyridinyl]methanone is COc1ccccc1N1CCN(C(=O)C2(Oc3ccc(C(F)(F)F)cc3)CC[C@H](c3ccccc3)N(C(=O)c3cnccc3C(F)(F)F)C2)CC1.

What is the InChIKey of [(2R)-5-[4-(2-methoxyphenyl)piperazine-1-carbonyl]-2-phenyl-5-[4-(trifluoromethyl)phenoxy]piperidin-1-yl]-[4-(trifluoromethyl)-3-pyridinyl]methanone?

The InChIKey is AWJXUMWQVBSJFO-OSRRZMJMSA-N. The full InChI is InChI=1S/C37H34F6N4O4/c1-50-32-10-6-5-9-31(32)45-19-21-46(22-20-45)34(49)35(51-27-13-11-26(12-14-27)36(38,39)40)17-15-30(25-7-3-2-4-8-25)47(24-35)33(48)28-23-44-18-16-29(28)37(41,42)43/h2-14,16,18,23,30H,15,17,19-22,24H2,1H3/t30-,35?/m1/s1.

What are the key properties of [(2R)-5-[4-(2-methoxyphenyl)piperazine-1-carbonyl]-2-phenyl-5-[4-(trifluoromethyl)phenoxy]piperidin-1-yl]-[4-(trifluoromethyl)-3-pyridinyl]methanone?

[(2R)-5-[4-(2-methoxyphenyl)piperazine-1-carbonyl]-2-phenyl-5-[4-(trifluoromethyl)phenoxy]piperidin-1-yl]-[4-(trifluoromethyl)-3-pyridinyl]methanone has a molecular weight of 712.69 g/mol, XLogP of 7.27, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for [(2R)-5-[4-(2-methoxyphenyl)piperazine-1-carbonyl]-2-phenyl-5-[4-(trifluoromethyl)phenoxy]piperidin-1-yl]-[4-(trifluoromethyl)-3-pyridinyl]methanone is sourced from PubChem (CID 59648158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).