4-[(1R)-1-hydroxy-2-(5H-imidazo[5,1-a]isoindol-5-yl)ethyl]-N-[4-(trifluoromethyl)phenyl]piperidine-1-carboxamide

C25H25F3N4O2 — CID 70874486

About 4-[(1R)-1-hydroxy-2-(5H-imidazo[5,1-a]isoindol-5-yl)ethyl]-N-[4-(trifluoromethyl)phenyl]piperidine-1-carboxamide

4-[(1R)-1-hydroxy-2-(5H-imidazo[5,1-a]isoindol-5-yl)ethyl]-N-[4-(trifluoromethyl)phenyl]piperidine-1-carboxamide (PubChem CID 70874486) has the molecular formula C25H25F3N4O2 and a molecular weight of 470.50 g/mol. Its IUPAC name is 4-[(1R)-1-hydroxy-2-(5H-imidazo[5,1-a]isoindol-5-yl)ethyl]-N-[4-(trifluoromethyl)phenyl]piperidine-1-carboxamide.

Molecular Properties

• Compound Name: 4-[(1R)-1-hydroxy-2-(5H-imidazo[5,1-a]isoindol-5-yl)ethyl]-N-[4-(trifluoromethyl)phenyl]piperidine-1-carboxamide
• PubChem CID: 70874486
• Molecular Formula: C25H25F3N4O2
• Molecular Weight: 470.50 g/mol
• Exact Mass: 470.19
• IUPAC Name: 4-[(1R)-1-hydroxy-2-(5H-imidazo[5,1-a]isoindol-5-yl)ethyl]-N-[4-(trifluoromethyl)phenyl]piperidine-1-carboxamide
• SMILES: O=C(Nc1ccc(C(F)(F)F)cc1)N1CCC([C@H](O)CC2c3ccccc3-c3cncn32)CC1
• InChI: InChI=1S/C25H25F3N4O2/c26-25(27,28)17-5-7-18(8-6-17)30-24(34)31-11-9-16(10-12-31)23(33)13-21-19-3-1-2-4-20(19)22-14-29-15-32(21)22/h1-8,14-16,21,23,33H,9-13H2,(H,30,34)/t21?,23-/m1/s1
• InChIKey: ROOUJCVTRRBQCP-JFGZAKSSSA-N
• XLogP: 5.17
• TPSA: 70.39 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	470.50
LogP ≤ 5	5.17
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 4-[(1R)-1-hydroxy-2-(5H-imidazo[5,1-a]isoindol-5-yl)ethyl]-N-[4-(trifluoromethyl)phenyl]piperidine-1-carboxamide?

The IUPAC name of 4-[(1R)-1-hydroxy-2-(5H-imidazo[5,1-a]isoindol-5-yl)ethyl]-N-[4-(trifluoromethyl)phenyl]piperidine-1-carboxamide (CID 70874486) is 4-[(1R)-1-hydroxy-2-(5H-imidazo[5,1-a]isoindol-5-yl)ethyl]-N-[4-(trifluoromethyl)phenyl]piperidine-1-carboxamide.

What is the SMILES notation for 4-[(1R)-1-hydroxy-2-(5H-imidazo[5,1-a]isoindol-5-yl)ethyl]-N-[4-(trifluoromethyl)phenyl]piperidine-1-carboxamide?

The canonical SMILES for 4-[(1R)-1-hydroxy-2-(5H-imidazo[5,1-a]isoindol-5-yl)ethyl]-N-[4-(trifluoromethyl)phenyl]piperidine-1-carboxamide is O=C(Nc1ccc(C(F)(F)F)cc1)N1CCC([C@H](O)CC2c3ccccc3-c3cncn32)CC1.

What is the InChIKey of 4-[(1R)-1-hydroxy-2-(5H-imidazo[5,1-a]isoindol-5-yl)ethyl]-N-[4-(trifluoromethyl)phenyl]piperidine-1-carboxamide?

The InChIKey is ROOUJCVTRRBQCP-JFGZAKSSSA-N. The full InChI is InChI=1S/C25H25F3N4O2/c26-25(27,28)17-5-7-18(8-6-17)30-24(34)31-11-9-16(10-12-31)23(33)13-21-19-3-1-2-4-20(19)22-14-29-15-32(21)22/h1-8,14-16,21,23,33H,9-13H2,(H,30,34)/t21?,23-/m1/s1.

What are the key properties of 4-[(1R)-1-hydroxy-2-(5H-imidazo[5,1-a]isoindol-5-yl)ethyl]-N-[4-(trifluoromethyl)phenyl]piperidine-1-carboxamide?

4-[(1R)-1-hydroxy-2-(5H-imidazo[5,1-a]isoindol-5-yl)ethyl]-N-[4-(trifluoromethyl)phenyl]piperidine-1-carboxamide has a molecular weight of 470.50 g/mol, XLogP of 5.17, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[(1R)-1-hydroxy-2-(5H-imidazo[5,1-a]isoindol-5-yl)ethyl]-N-[4-(trifluoromethyl)phenyl]piperidine-1-carboxamide is sourced from PubChem (CID 70874486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).