3,3,3-trifluoro-N-[(4-methoxy-6-piperidin-1-yl-1,3,5-triazin-2-yl)methyl]propanamide

C13H18F3N5O2 — CID 122253603

About 3,3,3-trifluoro-N-[(4-methoxy-6-piperidin-1-yl-1,3,5-triazin-2-yl)methyl]propanamide

3,3,3-trifluoro-N-[(4-methoxy-6-piperidin-1-yl-1,3,5-triazin-2-yl)methyl]propanamide (PubChem CID 122253603) has the molecular formula C13H18F3N5O2 and a molecular weight of 333.31 g/mol. Its IUPAC name is 3,3,3-trifluoro-N-[(4-methoxy-6-piperidin-1-yl-1,3,5-triazin-2-yl)methyl]propanamide.

Molecular Properties

• Compound Name: 3,3,3-trifluoro-N-[(4-methoxy-6-piperidin-1-yl-1,3,5-triazin-2-yl)methyl]propanamide
• PubChem CID: 122253603
• Molecular Formula: C13H18F3N5O2
• Molecular Weight: 333.31 g/mol
• Exact Mass: 333.14
• IUPAC Name: 3,3,3-trifluoro-N-[(4-methoxy-6-piperidin-1-yl-1,3,5-triazin-2-yl)methyl]propanamide
• SMILES: COc1nc(CNC(=O)CC(F)(F)F)nc(N2CCCCC2)n1
• InChI: InChI=1S/C13H18F3N5O2/c1-23-12-19-9(8-17-10(22)7-13(14,15)16)18-11(20-12)21-5-3-2-4-6-21/h2-8H2,1H3,(H,17,22)
• InChIKey: WIKKQYMURNUBAO-UHFFFAOYSA-N
• XLogP: 1.44
• TPSA: 80.24 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 23
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	333.31
LogP ≤ 5	1.44
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 3,3,3-trifluoro-N-[(4-methoxy-6-piperidin-1-yl-1,3,5-triazin-2-yl)methyl]propanamide?

The IUPAC name of 3,3,3-trifluoro-N-[(4-methoxy-6-piperidin-1-yl-1,3,5-triazin-2-yl)methyl]propanamide (CID 122253603) is 3,3,3-trifluoro-N-[(4-methoxy-6-piperidin-1-yl-1,3,5-triazin-2-yl)methyl]propanamide.

What is the SMILES notation for 3,3,3-trifluoro-N-[(4-methoxy-6-piperidin-1-yl-1,3,5-triazin-2-yl)methyl]propanamide?

The canonical SMILES for 3,3,3-trifluoro-N-[(4-methoxy-6-piperidin-1-yl-1,3,5-triazin-2-yl)methyl]propanamide is COc1nc(CNC(=O)CC(F)(F)F)nc(N2CCCCC2)n1.

What is the InChIKey of 3,3,3-trifluoro-N-[(4-methoxy-6-piperidin-1-yl-1,3,5-triazin-2-yl)methyl]propanamide?

The InChIKey is WIKKQYMURNUBAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18F3N5O2/c1-23-12-19-9(8-17-10(22)7-13(14,15)16)18-11(20-12)21-5-3-2-4-6-21/h2-8H2,1H3,(H,17,22).

What are the key properties of 3,3,3-trifluoro-N-[(4-methoxy-6-piperidin-1-yl-1,3,5-triazin-2-yl)methyl]propanamide?

3,3,3-trifluoro-N-[(4-methoxy-6-piperidin-1-yl-1,3,5-triazin-2-yl)methyl]propanamide has a molecular weight of 333.31 g/mol, XLogP of 1.44, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 3,3,3-trifluoro-N-[(4-methoxy-6-piperidin-1-yl-1,3,5-triazin-2-yl)methyl]propanamide is sourced from PubChem (CID 122253603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).