4-methyl-N-[(3S)-4,4,4-trifluoro-3-hydroxy-3-(1-methylimidazol-2-yl)butyl]piperidine-1-carboxamide

C15H23F3N4O2 — CID 94060327

About 4-methyl-N-[(3S)-4,4,4-trifluoro-3-hydroxy-3-(1-methylimidazol-2-yl)butyl]piperidine-1-carboxamide

4-methyl-N-[(3S)-4,4,4-trifluoro-3-hydroxy-3-(1-methylimidazol-2-yl)butyl]piperidine-1-carboxamide (PubChem CID 94060327) has the molecular formula C15H23F3N4O2 and a molecular weight of 348.37 g/mol. Its IUPAC name is 4-methyl-N-[(3S)-4,4,4-trifluoro-3-hydroxy-3-(1-methylimidazol-2-yl)butyl]piperidine-1-carboxamide.

Molecular Properties

• Compound Name: 4-methyl-N-[(3S)-4,4,4-trifluoro-3-hydroxy-3-(1-methylimidazol-2-yl)butyl]piperidine-1-carboxamide
• PubChem CID: 94060327
• Molecular Formula: C15H23F3N4O2
• Molecular Weight: 348.37 g/mol
• Exact Mass: 348.18
• IUPAC Name: 4-methyl-N-[(3S)-4,4,4-trifluoro-3-hydroxy-3-(1-methylimidazol-2-yl)butyl]piperidine-1-carboxamide
• SMILES: CC1CCN(C(=O)NCC[C@](O)(c2nccn2C)C(F)(F)F)CC1
• InChI: InChI=1S/C15H23F3N4O2/c1-11-3-8-22(9-4-11)13(23)20-6-5-14(24,15(16,17)18)12-19-7-10-21(12)2/h7,10-11,24H,3-6,8-9H2,1-2H3,(H,20,23)/t14-/m0/s1
• InChIKey: PENVKHDYBJIANT-AWEZNQCLSA-N
• XLogP: 2.00
• TPSA: 70.39 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 24
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	348.37
LogP ≤ 5	2.00
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[(3S)-4,4,4-trifluoro-3-hydroxy-3-(1-methylimidazol-2-yl)butyl]piperidine-1-carboxamide?

The IUPAC name of 4-methyl-N-[(3S)-4,4,4-trifluoro-3-hydroxy-3-(1-methylimidazol-2-yl)butyl]piperidine-1-carboxamide (CID 94060327) is 4-methyl-N-[(3S)-4,4,4-trifluoro-3-hydroxy-3-(1-methylimidazol-2-yl)butyl]piperidine-1-carboxamide.

What is the SMILES notation for 4-methyl-N-[(3S)-4,4,4-trifluoro-3-hydroxy-3-(1-methylimidazol-2-yl)butyl]piperidine-1-carboxamide?

The canonical SMILES for 4-methyl-N-[(3S)-4,4,4-trifluoro-3-hydroxy-3-(1-methylimidazol-2-yl)butyl]piperidine-1-carboxamide is CC1CCN(C(=O)NCC[C@](O)(c2nccn2C)C(F)(F)F)CC1.

What is the InChIKey of 4-methyl-N-[(3S)-4,4,4-trifluoro-3-hydroxy-3-(1-methylimidazol-2-yl)butyl]piperidine-1-carboxamide?

The InChIKey is PENVKHDYBJIANT-AWEZNQCLSA-N. The full InChI is InChI=1S/C15H23F3N4O2/c1-11-3-8-22(9-4-11)13(23)20-6-5-14(24,15(16,17)18)12-19-7-10-21(12)2/h7,10-11,24H,3-6,8-9H2,1-2H3,(H,20,23)/t14-/m0/s1.

What are the key properties of 4-methyl-N-[(3S)-4,4,4-trifluoro-3-hydroxy-3-(1-methylimidazol-2-yl)butyl]piperidine-1-carboxamide?

4-methyl-N-[(3S)-4,4,4-trifluoro-3-hydroxy-3-(1-methylimidazol-2-yl)butyl]piperidine-1-carboxamide has a molecular weight of 348.37 g/mol, XLogP of 2.00, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 4-methyl-N-[(3S)-4,4,4-trifluoro-3-hydroxy-3-(1-methylimidazol-2-yl)butyl]piperidine-1-carboxamide is sourced from PubChem (CID 94060327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).