N-[3-methyl-1-oxo-1-[4-[3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]butan-2-yl]benzamide

C22H25F3N4O2 — CID 42705995

About N-[3-methyl-1-oxo-1-[4-[3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]butan-2-yl]benzamide

N-[3-methyl-1-oxo-1-[4-[3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]butan-2-yl]benzamide (PubChem CID 42705995) has the molecular formula C22H25F3N4O2 and a molecular weight of 434.46 g/mol. Its IUPAC name is N-[3-methyl-1-oxo-1-[4-[3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]butan-2-yl]benzamide.

Molecular Properties

• Compound Name: N-[3-methyl-1-oxo-1-[4-[3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]butan-2-yl]benzamide
• PubChem CID: 42705995
• Molecular Formula: C22H25F3N4O2
• Molecular Weight: 434.46 g/mol
• Exact Mass: 434.19
• IUPAC Name: N-[3-methyl-1-oxo-1-[4-[3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]butan-2-yl]benzamide
• SMILES: CC(C)C(NC(=O)c1ccccc1)C(=O)N1CCN(c2ncccc2C(F)(F)F)CC1
• InChI: InChI=1S/C22H25F3N4O2/c1-15(2)18(27-20(30)16-7-4-3-5-8-16)21(31)29-13-11-28(12-14-29)19-17(22(23,24)25)9-6-10-26-19/h3-10,15,18H,11-14H2,1-2H3,(H,27,30)
• InChIKey: CNACAYBZNOUGKW-UHFFFAOYSA-N
• XLogP: 3.20
• TPSA: 65.54 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	434.46
LogP ≤ 5	3.20
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of N-[3-methyl-1-oxo-1-[4-[3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]butan-2-yl]benzamide?

The IUPAC name of N-[3-methyl-1-oxo-1-[4-[3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]butan-2-yl]benzamide (CID 42705995) is N-[3-methyl-1-oxo-1-[4-[3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]butan-2-yl]benzamide.

What is the SMILES notation for N-[3-methyl-1-oxo-1-[4-[3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]butan-2-yl]benzamide?

The canonical SMILES for N-[3-methyl-1-oxo-1-[4-[3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]butan-2-yl]benzamide is CC(C)C(NC(=O)c1ccccc1)C(=O)N1CCN(c2ncccc2C(F)(F)F)CC1.

What is the InChIKey of N-[3-methyl-1-oxo-1-[4-[3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]butan-2-yl]benzamide?

The InChIKey is CNACAYBZNOUGKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25F3N4O2/c1-15(2)18(27-20(30)16-7-4-3-5-8-16)21(31)29-13-11-28(12-14-29)19-17(22(23,24)25)9-6-10-26-19/h3-10,15,18H,11-14H2,1-2H3,(H,27,30).

What are the key properties of N-[3-methyl-1-oxo-1-[4-[3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]butan-2-yl]benzamide?

N-[3-methyl-1-oxo-1-[4-[3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]butan-2-yl]benzamide has a molecular weight of 434.46 g/mol, XLogP of 3.20, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-methyl-1-oxo-1-[4-[3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]butan-2-yl]benzamide is sourced from PubChem (CID 42705995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).