[5-(1-propan-2-ylpiperidin-4-yl)oxy-1H-indol-2-yl]-[2-(trifluoromethyl)pyrrolidin-1-yl]methanone

C22H28F3N3O2 — CID 69282977

About [5-(1-propan-2-ylpiperidin-4-yl)oxy-1H-indol-2-yl]-[2-(trifluoromethyl)pyrrolidin-1-yl]methanone

[5-(1-propan-2-ylpiperidin-4-yl)oxy-1H-indol-2-yl]-[2-(trifluoromethyl)pyrrolidin-1-yl]methanone (PubChem CID 69282977) has the molecular formula C22H28F3N3O2 and a molecular weight of 423.48 g/mol. Its IUPAC name is [5-(1-propan-2-ylpiperidin-4-yl)oxy-1H-indol-2-yl]-[2-(trifluoromethyl)pyrrolidin-1-yl]methanone.

Molecular Properties

• Compound Name: [5-(1-propan-2-ylpiperidin-4-yl)oxy-1H-indol-2-yl]-[2-(trifluoromethyl)pyrrolidin-1-yl]methanone
• PubChem CID: 69282977
• Molecular Formula: C22H28F3N3O2
• Molecular Weight: 423.48 g/mol
• Exact Mass: 423.21
• IUPAC Name: [5-(1-propan-2-ylpiperidin-4-yl)oxy-1H-indol-2-yl]-[2-(trifluoromethyl)pyrrolidin-1-yl]methanone
• SMILES: CC(C)N1CCC(Oc2ccc3[nH]c(C(=O)N4CCCC4C(F)(F)F)cc3c2)CC1
• InChI: InChI=1S/C22H28F3N3O2/c1-14(2)27-10-7-16(8-11-27)30-17-5-6-18-15(12-17)13-19(26-18)21(29)28-9-3-4-20(28)22(23,24)25/h5-6,12-14,16,20,26H,3-4,7-11H2,1-2H3
• InChIKey: OTMFZEUSLQXDJU-UHFFFAOYSA-N
• XLogP: 4.59
• TPSA: 48.57 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 4
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	423.48
LogP ≤ 5	4.59
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of [5-(1-propan-2-ylpiperidin-4-yl)oxy-1H-indol-2-yl]-[2-(trifluoromethyl)pyrrolidin-1-yl]methanone?

The IUPAC name of [5-(1-propan-2-ylpiperidin-4-yl)oxy-1H-indol-2-yl]-[2-(trifluoromethyl)pyrrolidin-1-yl]methanone (CID 69282977) is [5-(1-propan-2-ylpiperidin-4-yl)oxy-1H-indol-2-yl]-[2-(trifluoromethyl)pyrrolidin-1-yl]methanone.

What is the SMILES notation for [5-(1-propan-2-ylpiperidin-4-yl)oxy-1H-indol-2-yl]-[2-(trifluoromethyl)pyrrolidin-1-yl]methanone?

The canonical SMILES for [5-(1-propan-2-ylpiperidin-4-yl)oxy-1H-indol-2-yl]-[2-(trifluoromethyl)pyrrolidin-1-yl]methanone is CC(C)N1CCC(Oc2ccc3[nH]c(C(=O)N4CCCC4C(F)(F)F)cc3c2)CC1.

What is the InChIKey of [5-(1-propan-2-ylpiperidin-4-yl)oxy-1H-indol-2-yl]-[2-(trifluoromethyl)pyrrolidin-1-yl]methanone?

The InChIKey is OTMFZEUSLQXDJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28F3N3O2/c1-14(2)27-10-7-16(8-11-27)30-17-5-6-18-15(12-17)13-19(26-18)21(29)28-9-3-4-20(28)22(23,24)25/h5-6,12-14,16,20,26H,3-4,7-11H2,1-2H3.

What are the key properties of [5-(1-propan-2-ylpiperidin-4-yl)oxy-1H-indol-2-yl]-[2-(trifluoromethyl)pyrrolidin-1-yl]methanone?

[5-(1-propan-2-ylpiperidin-4-yl)oxy-1H-indol-2-yl]-[2-(trifluoromethyl)pyrrolidin-1-yl]methanone has a molecular weight of 423.48 g/mol, XLogP of 4.59, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for [5-(1-propan-2-ylpiperidin-4-yl)oxy-1H-indol-2-yl]-[2-(trifluoromethyl)pyrrolidin-1-yl]methanone is sourced from PubChem (CID 69282977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).