5-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]oxy-6-[2-(trifluoromethyl)phenyl]-1H-indole-2-carboxylic acid

C26H27F3N2O5 — CID 145211950

About 5-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]oxy-6-[2-(trifluoromethyl)phenyl]-1H-indole-2-carboxylic acid

5-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]oxy-6-[2-(trifluoromethyl)phenyl]-1H-indole-2-carboxylic acid (PubChem CID 145211950) has the molecular formula C26H27F3N2O5 and a molecular weight of 504.51 g/mol. Its IUPAC name is 5-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]oxy-6-[2-(trifluoromethyl)phenyl]-1H-indole-2-carboxylic acid.

Molecular Properties

• Compound Name: 5-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]oxy-6-[2-(trifluoromethyl)phenyl]-1H-indole-2-carboxylic acid
• PubChem CID: 145211950
• Molecular Formula: C26H27F3N2O5
• Molecular Weight: 504.51 g/mol
• Exact Mass: 504.19
• IUPAC Name: 5-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]oxy-6-[2-(trifluoromethyl)phenyl]-1H-indole-2-carboxylic acid
• SMILES: CC(C)(C)OC(=O)N1CCC(Oc2cc3cc(C(=O)O)[nH]c3cc2-c2ccccc2C(F)(F)F)CC1
• InChI: InChI=1S/C26H27F3N2O5/c1-25(2,3)36-24(34)31-10-8-16(9-11-31)35-22-13-15-12-21(23(32)33)30-20(15)14-18(22)17-6-4-5-7-19(17)26(27,28)29/h4-7,12-14,16,30H,8-11H2,1-3H3,(H,32,33)
• InChIKey: MOIZQELVCKSXAW-UHFFFAOYSA-N
• XLogP: 6.33
• TPSA: 91.86 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	504.51
LogP ≤ 5	6.33
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 5-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]oxy-6-[2-(trifluoromethyl)phenyl]-1H-indole-2-carboxylic acid?

The IUPAC name of 5-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]oxy-6-[2-(trifluoromethyl)phenyl]-1H-indole-2-carboxylic acid (CID 145211950) is 5-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]oxy-6-[2-(trifluoromethyl)phenyl]-1H-indole-2-carboxylic acid.

What is the SMILES notation for 5-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]oxy-6-[2-(trifluoromethyl)phenyl]-1H-indole-2-carboxylic acid?

The canonical SMILES for 5-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]oxy-6-[2-(trifluoromethyl)phenyl]-1H-indole-2-carboxylic acid is CC(C)(C)OC(=O)N1CCC(Oc2cc3cc(C(=O)O)[nH]c3cc2-c2ccccc2C(F)(F)F)CC1.

What is the InChIKey of 5-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]oxy-6-[2-(trifluoromethyl)phenyl]-1H-indole-2-carboxylic acid?

The InChIKey is MOIZQELVCKSXAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27F3N2O5/c1-25(2,3)36-24(34)31-10-8-16(9-11-31)35-22-13-15-12-21(23(32)33)30-20(15)14-18(22)17-6-4-5-7-19(17)26(27,28)29/h4-7,12-14,16,30H,8-11H2,1-3H3,(H,32,33).

What are the key properties of 5-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]oxy-6-[2-(trifluoromethyl)phenyl]-1H-indole-2-carboxylic acid?

5-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]oxy-6-[2-(trifluoromethyl)phenyl]-1H-indole-2-carboxylic acid has a molecular weight of 504.51 g/mol, XLogP of 6.33, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]oxy-6-[2-(trifluoromethyl)phenyl]-1H-indole-2-carboxylic acid is sourced from PubChem (CID 145211950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).