1-[5-methyl-2-[(1-methylpiperidin-3-yl)methoxy]phenyl]-3-[5-(trifluoromethyl)pyrazin-2-yl]urea

C20H24F3N5O2 — CID 11654744

About 1-[5-methyl-2-[(1-methylpiperidin-3-yl)methoxy]phenyl]-3-[5-(trifluoromethyl)pyrazin-2-yl]urea

1-[5-methyl-2-[(1-methylpiperidin-3-yl)methoxy]phenyl]-3-[5-(trifluoromethyl)pyrazin-2-yl]urea (PubChem CID 11654744) has the molecular formula C20H24F3N5O2 and a molecular weight of 423.44 g/mol. Its IUPAC name is 1-[5-methyl-2-[(1-methylpiperidin-3-yl)methoxy]phenyl]-3-[5-(trifluoromethyl)pyrazin-2-yl]urea.

Molecular Properties

• Compound Name: 1-[5-methyl-2-[(1-methylpiperidin-3-yl)methoxy]phenyl]-3-[5-(trifluoromethyl)pyrazin-2-yl]urea
• PubChem CID: 11654744
• Molecular Formula: C20H24F3N5O2
• Molecular Weight: 423.44 g/mol
• Exact Mass: 423.19
• IUPAC Name: 1-[5-methyl-2-[(1-methylpiperidin-3-yl)methoxy]phenyl]-3-[5-(trifluoromethyl)pyrazin-2-yl]urea
• SMILES: Cc1ccc(OCC2CCCN(C)C2)c(NC(=O)Nc2cnc(C(F)(F)F)cn2)c1
• InChI: InChI=1S/C20H24F3N5O2/c1-13-5-6-16(30-12-14-4-3-7-28(2)11-14)15(8-13)26-19(29)27-18-10-24-17(9-25-18)20(21,22)23/h5-6,8-10,14H,3-4,7,11-12H2,1-2H3,(H2,25,26,27,29)
• InChIKey: MKESDGQZJPYSDM-UHFFFAOYSA-N
• XLogP: 4.17
• TPSA: 79.38 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	423.44
LogP ≤ 5	4.17
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 1-[5-methyl-2-[(1-methylpiperidin-3-yl)methoxy]phenyl]-3-[5-(trifluoromethyl)pyrazin-2-yl]urea?

The IUPAC name of 1-[5-methyl-2-[(1-methylpiperidin-3-yl)methoxy]phenyl]-3-[5-(trifluoromethyl)pyrazin-2-yl]urea (CID 11654744) is 1-[5-methyl-2-[(1-methylpiperidin-3-yl)methoxy]phenyl]-3-[5-(trifluoromethyl)pyrazin-2-yl]urea.

What is the SMILES notation for 1-[5-methyl-2-[(1-methylpiperidin-3-yl)methoxy]phenyl]-3-[5-(trifluoromethyl)pyrazin-2-yl]urea?

The canonical SMILES for 1-[5-methyl-2-[(1-methylpiperidin-3-yl)methoxy]phenyl]-3-[5-(trifluoromethyl)pyrazin-2-yl]urea is Cc1ccc(OCC2CCCN(C)C2)c(NC(=O)Nc2cnc(C(F)(F)F)cn2)c1.

What is the InChIKey of 1-[5-methyl-2-[(1-methylpiperidin-3-yl)methoxy]phenyl]-3-[5-(trifluoromethyl)pyrazin-2-yl]urea?

The InChIKey is MKESDGQZJPYSDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24F3N5O2/c1-13-5-6-16(30-12-14-4-3-7-28(2)11-14)15(8-13)26-19(29)27-18-10-24-17(9-25-18)20(21,22)23/h5-6,8-10,14H,3-4,7,11-12H2,1-2H3,(H2,25,26,27,29).

What are the key properties of 1-[5-methyl-2-[(1-methylpiperidin-3-yl)methoxy]phenyl]-3-[5-(trifluoromethyl)pyrazin-2-yl]urea?

1-[5-methyl-2-[(1-methylpiperidin-3-yl)methoxy]phenyl]-3-[5-(trifluoromethyl)pyrazin-2-yl]urea has a molecular weight of 423.44 g/mol, XLogP of 4.17, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[5-methyl-2-[(1-methylpiperidin-3-yl)methoxy]phenyl]-3-[5-(trifluoromethyl)pyrazin-2-yl]urea is sourced from PubChem (CID 11654744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).