2-(2-oxopiperazin-1-yl)-N-[(3R)-4,4,4-trifluoro-3-hydroxy-3-(1-methylimidazol-2-yl)butyl]acetamide

C14H20F3N5O3 — CID 124699445

About 2-(2-oxopiperazin-1-yl)-N-[(3R)-4,4,4-trifluoro-3-hydroxy-3-(1-methylimidazol-2-yl)butyl]acetamide

2-(2-oxopiperazin-1-yl)-N-[(3R)-4,4,4-trifluoro-3-hydroxy-3-(1-methylimidazol-2-yl)butyl]acetamide (PubChem CID 124699445) has the molecular formula C14H20F3N5O3 and a molecular weight of 363.34 g/mol. Its IUPAC name is 2-(2-oxopiperazin-1-yl)-N-[(3R)-4,4,4-trifluoro-3-hydroxy-3-(1-methylimidazol-2-yl)butyl]acetamide.

Molecular Properties

• Compound Name: 2-(2-oxopiperazin-1-yl)-N-[(3R)-4,4,4-trifluoro-3-hydroxy-3-(1-methylimidazol-2-yl)butyl]acetamide
• PubChem CID: 124699445
• Molecular Formula: C14H20F3N5O3
• Molecular Weight: 363.34 g/mol
• Exact Mass: 363.15
• IUPAC Name: 2-(2-oxopiperazin-1-yl)-N-[(3R)-4,4,4-trifluoro-3-hydroxy-3-(1-methylimidazol-2-yl)butyl]acetamide
• SMILES: Cn1ccnc1[C@](O)(CCNC(=O)CN1CCNCC1=O)C(F)(F)F
• InChI: InChI=1S/C14H20F3N5O3/c1-21-6-5-20-12(21)13(25,14(15,16)17)2-3-19-10(23)9-22-7-4-18-8-11(22)24/h5-6,18,25H,2-4,7-9H2,1H3,(H,19,23)/t13-/m1/s1
• InChIKey: CBUDPOHPROBOAL-CYBMUJFWSA-N
• XLogP: -0.89
• TPSA: 99.49 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	363.34
LogP ≤ 5	-0.89
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 2-(2-oxopiperazin-1-yl)-N-[(3R)-4,4,4-trifluoro-3-hydroxy-3-(1-methylimidazol-2-yl)butyl]acetamide?

The IUPAC name of 2-(2-oxopiperazin-1-yl)-N-[(3R)-4,4,4-trifluoro-3-hydroxy-3-(1-methylimidazol-2-yl)butyl]acetamide (CID 124699445) is 2-(2-oxopiperazin-1-yl)-N-[(3R)-4,4,4-trifluoro-3-hydroxy-3-(1-methylimidazol-2-yl)butyl]acetamide.

What is the SMILES notation for 2-(2-oxopiperazin-1-yl)-N-[(3R)-4,4,4-trifluoro-3-hydroxy-3-(1-methylimidazol-2-yl)butyl]acetamide?

The canonical SMILES for 2-(2-oxopiperazin-1-yl)-N-[(3R)-4,4,4-trifluoro-3-hydroxy-3-(1-methylimidazol-2-yl)butyl]acetamide is Cn1ccnc1[C@](O)(CCNC(=O)CN1CCNCC1=O)C(F)(F)F.

What is the InChIKey of 2-(2-oxopiperazin-1-yl)-N-[(3R)-4,4,4-trifluoro-3-hydroxy-3-(1-methylimidazol-2-yl)butyl]acetamide?

The InChIKey is CBUDPOHPROBOAL-CYBMUJFWSA-N. The full InChI is InChI=1S/C14H20F3N5O3/c1-21-6-5-20-12(21)13(25,14(15,16)17)2-3-19-10(23)9-22-7-4-18-8-11(22)24/h5-6,18,25H,2-4,7-9H2,1H3,(H,19,23)/t13-/m1/s1.

What are the key properties of 2-(2-oxopiperazin-1-yl)-N-[(3R)-4,4,4-trifluoro-3-hydroxy-3-(1-methylimidazol-2-yl)butyl]acetamide?

2-(2-oxopiperazin-1-yl)-N-[(3R)-4,4,4-trifluoro-3-hydroxy-3-(1-methylimidazol-2-yl)butyl]acetamide has a molecular weight of 363.34 g/mol, XLogP of -0.89, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(2-oxopiperazin-1-yl)-N-[(3R)-4,4,4-trifluoro-3-hydroxy-3-(1-methylimidazol-2-yl)butyl]acetamide is sourced from PubChem (CID 124699445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).