[3-[[2-[(4-methoxy-1H-indole-2-carbonyl)amino]acetyl]amino]-2-oxo-4-(2-oxopiperidin-3-yl)butyl] 3,3,3-trifluoro-2,2-dimethylpropanoate

C26H31F3N4O7 — CID 167142569

About [3-[[2-[(4-methoxy-1H-indole-2-carbonyl)amino]acetyl]amino]-2-oxo-4-(2-oxopiperidin-3-yl)butyl] 3,3,3-trifluoro-2,2-dimethylpropanoate

[3-[[2-[(4-methoxy-1H-indole-2-carbonyl)amino]acetyl]amino]-2-oxo-4-(2-oxopiperidin-3-yl)butyl] 3,3,3-trifluoro-2,2-dimethylpropanoate (PubChem CID 167142569) has the molecular formula C26H31F3N4O7 and a molecular weight of 568.55 g/mol. Its IUPAC name is [3-[[2-[(4-methoxy-1H-indole-2-carbonyl)amino]acetyl]amino]-2-oxo-4-(2-oxopiperidin-3-yl)butyl] 3,3,3-trifluoro-2,2-dimethylpropanoate.

Molecular Properties

• Compound Name: [3-[[2-[(4-methoxy-1H-indole-2-carbonyl)amino]acetyl]amino]-2-oxo-4-(2-oxopiperidin-3-yl)butyl] 3,3,3-trifluoro-2,2-dimethylpropanoate
• PubChem CID: 167142569
• Molecular Formula: C26H31F3N4O7
• Molecular Weight: 568.55 g/mol
• Exact Mass: 568.21
• IUPAC Name: [3-[[2-[(4-methoxy-1H-indole-2-carbonyl)amino]acetyl]amino]-2-oxo-4-(2-oxopiperidin-3-yl)butyl] 3,3,3-trifluoro-2,2-dimethylpropanoate
• SMILES: COc1cccc2[nH]c(C(=O)NCC(=O)NC(CC3CCCNC3=O)C(=O)COC(=O)C(C)(C)C(F)(F)F)cc12
• InChI: InChI=1S/C26H31F3N4O7/c1-25(2,26(27,28)29)24(38)40-13-19(34)17(10-14-6-5-9-30-22(14)36)33-21(35)12-31-23(37)18-11-15-16(32-18)7-4-8-20(15)39-3/h4,7-8,11,14,17,32H,5-6,9-10,12-13H2,1-3H3,(H,30,36)(H,31,37)(H,33,35)
• InChIKey: AQMQODFJEOXHNS-UHFFFAOYSA-N
• XLogP: 2.01
• TPSA: 155.69 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 7
• Rotatable Bonds: 11
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	568.55
LogP ≤ 5	2.01
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of [3-[[2-[(4-methoxy-1H-indole-2-carbonyl)amino]acetyl]amino]-2-oxo-4-(2-oxopiperidin-3-yl)butyl] 3,3,3-trifluoro-2,2-dimethylpropanoate?

The IUPAC name of [3-[[2-[(4-methoxy-1H-indole-2-carbonyl)amino]acetyl]amino]-2-oxo-4-(2-oxopiperidin-3-yl)butyl] 3,3,3-trifluoro-2,2-dimethylpropanoate (CID 167142569) is [3-[[2-[(4-methoxy-1H-indole-2-carbonyl)amino]acetyl]amino]-2-oxo-4-(2-oxopiperidin-3-yl)butyl] 3,3,3-trifluoro-2,2-dimethylpropanoate.

What is the SMILES notation for [3-[[2-[(4-methoxy-1H-indole-2-carbonyl)amino]acetyl]amino]-2-oxo-4-(2-oxopiperidin-3-yl)butyl] 3,3,3-trifluoro-2,2-dimethylpropanoate?

The canonical SMILES for [3-[[2-[(4-methoxy-1H-indole-2-carbonyl)amino]acetyl]amino]-2-oxo-4-(2-oxopiperidin-3-yl)butyl] 3,3,3-trifluoro-2,2-dimethylpropanoate is COc1cccc2[nH]c(C(=O)NCC(=O)NC(CC3CCCNC3=O)C(=O)COC(=O)C(C)(C)C(F)(F)F)cc12.

What is the InChIKey of [3-[[2-[(4-methoxy-1H-indole-2-carbonyl)amino]acetyl]amino]-2-oxo-4-(2-oxopiperidin-3-yl)butyl] 3,3,3-trifluoro-2,2-dimethylpropanoate?

The InChIKey is AQMQODFJEOXHNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31F3N4O7/c1-25(2,26(27,28)29)24(38)40-13-19(34)17(10-14-6-5-9-30-22(14)36)33-21(35)12-31-23(37)18-11-15-16(32-18)7-4-8-20(15)39-3/h4,7-8,11,14,17,32H,5-6,9-10,12-13H2,1-3H3,(H,30,36)(H,31,37)(H,33,35).

What are the key properties of [3-[[2-[(4-methoxy-1H-indole-2-carbonyl)amino]acetyl]amino]-2-oxo-4-(2-oxopiperidin-3-yl)butyl] 3,3,3-trifluoro-2,2-dimethylpropanoate?

[3-[[2-[(4-methoxy-1H-indole-2-carbonyl)amino]acetyl]amino]-2-oxo-4-(2-oxopiperidin-3-yl)butyl] 3,3,3-trifluoro-2,2-dimethylpropanoate has a molecular weight of 568.55 g/mol, XLogP of 2.01, 11 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for [3-[[2-[(4-methoxy-1H-indole-2-carbonyl)amino]acetyl]amino]-2-oxo-4-(2-oxopiperidin-3-yl)butyl] 3,3,3-trifluoro-2,2-dimethylpropanoate is sourced from PubChem (CID 167142569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).