2,2,2-trifluoro-N-[[4-fluoro-3-[1-[2-(2-methoxyethyl)-4-(morpholine-4-carbonyl)-1H-indole-3-carbonyl]piperidin-4-yl]phenyl]methyl]acetamide

C31H34F4N4O5 — CID 88933162

About 2,2,2-trifluoro-N-[[4-fluoro-3-[1-[2-(2-methoxyethyl)-4-(morpholine-4-carbonyl)-1H-indole-3-carbonyl]piperidin-4-yl]phenyl]methyl]acetamide

2,2,2-trifluoro-N-[[4-fluoro-3-[1-[2-(2-methoxyethyl)-4-(morpholine-4-carbonyl)-1H-indole-3-carbonyl]piperidin-4-yl]phenyl]methyl]acetamide (PubChem CID 88933162) has the molecular formula C31H34F4N4O5 and a molecular weight of 618.63 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-[[4-fluoro-3-[1-[2-(2-methoxyethyl)-4-(morpholine-4-carbonyl)-1H-indole-3-carbonyl]piperidin-4-yl]phenyl]methyl]acetamide.

Molecular Properties

• Compound Name: 2,2,2-trifluoro-N-[[4-fluoro-3-[1-[2-(2-methoxyethyl)-4-(morpholine-4-carbonyl)-1H-indole-3-carbonyl]piperidin-4-yl]phenyl]methyl]acetamide
• PubChem CID: 88933162
• Molecular Formula: C31H34F4N4O5
• Molecular Weight: 618.63 g/mol
• Exact Mass: 618.25
• IUPAC Name: 2,2,2-trifluoro-N-[[4-fluoro-3-[1-[2-(2-methoxyethyl)-4-(morpholine-4-carbonyl)-1H-indole-3-carbonyl]piperidin-4-yl]phenyl]methyl]acetamide
• SMILES: COCCc1[nH]c2cccc(C(=O)N3CCOCC3)c2c1C(=O)N1CCC(c2cc(CNC(=O)C(F)(F)F)ccc2F)CC1
• InChI: InChI=1S/C31H34F4N4O5/c1-43-14-9-25-27(26-21(3-2-4-24(26)37-25)28(40)39-12-15-44-16-13-39)29(41)38-10-7-20(8-11-38)22-17-19(5-6-23(22)32)18-36-30(42)31(33,34)35/h2-6,17,20,37H,7-16,18H2,1H3,(H,36,42)
• InChIKey: OTSNUNZTUJLKHD-UHFFFAOYSA-N
• XLogP: 4.17
• TPSA: 103.97 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 8
• Heavy Atoms: 44
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	618.63
LogP ≤ 5	4.17
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-[[4-fluoro-3-[1-[2-(2-methoxyethyl)-4-(morpholine-4-carbonyl)-1H-indole-3-carbonyl]piperidin-4-yl]phenyl]methyl]acetamide?

The IUPAC name of 2,2,2-trifluoro-N-[[4-fluoro-3-[1-[2-(2-methoxyethyl)-4-(morpholine-4-carbonyl)-1H-indole-3-carbonyl]piperidin-4-yl]phenyl]methyl]acetamide (CID 88933162) is 2,2,2-trifluoro-N-[[4-fluoro-3-[1-[2-(2-methoxyethyl)-4-(morpholine-4-carbonyl)-1H-indole-3-carbonyl]piperidin-4-yl]phenyl]methyl]acetamide.

What is the SMILES notation for 2,2,2-trifluoro-N-[[4-fluoro-3-[1-[2-(2-methoxyethyl)-4-(morpholine-4-carbonyl)-1H-indole-3-carbonyl]piperidin-4-yl]phenyl]methyl]acetamide?

The canonical SMILES for 2,2,2-trifluoro-N-[[4-fluoro-3-[1-[2-(2-methoxyethyl)-4-(morpholine-4-carbonyl)-1H-indole-3-carbonyl]piperidin-4-yl]phenyl]methyl]acetamide is COCCc1[nH]c2cccc(C(=O)N3CCOCC3)c2c1C(=O)N1CCC(c2cc(CNC(=O)C(F)(F)F)ccc2F)CC1.

What is the InChIKey of 2,2,2-trifluoro-N-[[4-fluoro-3-[1-[2-(2-methoxyethyl)-4-(morpholine-4-carbonyl)-1H-indole-3-carbonyl]piperidin-4-yl]phenyl]methyl]acetamide?

The InChIKey is OTSNUNZTUJLKHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H34F4N4O5/c1-43-14-9-25-27(26-21(3-2-4-24(26)37-25)28(40)39-12-15-44-16-13-39)29(41)38-10-7-20(8-11-38)22-17-19(5-6-23(22)32)18-36-30(42)31(33,34)35/h2-6,17,20,37H,7-16,18H2,1H3,(H,36,42).

What are the key properties of 2,2,2-trifluoro-N-[[4-fluoro-3-[1-[2-(2-methoxyethyl)-4-(morpholine-4-carbonyl)-1H-indole-3-carbonyl]piperidin-4-yl]phenyl]methyl]acetamide?

2,2,2-trifluoro-N-[[4-fluoro-3-[1-[2-(2-methoxyethyl)-4-(morpholine-4-carbonyl)-1H-indole-3-carbonyl]piperidin-4-yl]phenyl]methyl]acetamide has a molecular weight of 618.63 g/mol, XLogP of 4.17, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2,2,2-trifluoro-N-[[4-fluoro-3-[1-[2-(2-methoxyethyl)-4-(morpholine-4-carbonyl)-1H-indole-3-carbonyl]piperidin-4-yl]phenyl]methyl]acetamide is sourced from PubChem (CID 88933162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).