3-[4-(3,5-difluorophenyl)phenyl]-1-methyl-1-[1-(5-methylpyridine-3-carbonyl)piperidin-4-yl]urea

C26H26F2N4O2 — CID 20782384

About 3-[4-(3,5-difluorophenyl)phenyl]-1-methyl-1-[1-(5-methylpyridine-3-carbonyl)piperidin-4-yl]urea

3-[4-(3,5-difluorophenyl)phenyl]-1-methyl-1-[1-(5-methylpyridine-3-carbonyl)piperidin-4-yl]urea (PubChem CID 20782384) has the molecular formula C26H26F2N4O2 and a molecular weight of 464.52 g/mol. Its IUPAC name is 3-[4-(3,5-difluorophenyl)phenyl]-1-methyl-1-[1-(5-methylpyridine-3-carbonyl)piperidin-4-yl]urea.

Molecular Properties

• Compound Name: 3-[4-(3,5-difluorophenyl)phenyl]-1-methyl-1-[1-(5-methylpyridine-3-carbonyl)piperidin-4-yl]urea
• PubChem CID: 20782384
• Molecular Formula: C26H26F2N4O2
• Molecular Weight: 464.52 g/mol
• Exact Mass: 464.20
• IUPAC Name: 3-[4-(3,5-difluorophenyl)phenyl]-1-methyl-1-[1-(5-methylpyridine-3-carbonyl)piperidin-4-yl]urea
• SMILES: Cc1cncc(C(=O)N2CCC(N(C)C(=O)Nc3ccc(-c4cc(F)cc(F)c4)cc3)CC2)c1
• InChI: InChI=1S/C26H26F2N4O2/c1-17-11-20(16-29-15-17)25(33)32-9-7-24(8-10-32)31(2)26(34)30-23-5-3-18(4-6-23)19-12-21(27)14-22(28)13-19/h3-6,11-16,24H,7-10H2,1-2H3,(H,30,34)
• InChIKey: YMZIGLKNGLXQDX-UHFFFAOYSA-N
• XLogP: 5.10
• TPSA: 65.54 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 4
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	464.52
LogP ≤ 5	5.10
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 3-[4-(3,5-difluorophenyl)phenyl]-1-methyl-1-[1-(5-methylpyridine-3-carbonyl)piperidin-4-yl]urea?

The IUPAC name of 3-[4-(3,5-difluorophenyl)phenyl]-1-methyl-1-[1-(5-methylpyridine-3-carbonyl)piperidin-4-yl]urea (CID 20782384) is 3-[4-(3,5-difluorophenyl)phenyl]-1-methyl-1-[1-(5-methylpyridine-3-carbonyl)piperidin-4-yl]urea.

What is the SMILES notation for 3-[4-(3,5-difluorophenyl)phenyl]-1-methyl-1-[1-(5-methylpyridine-3-carbonyl)piperidin-4-yl]urea?

The canonical SMILES for 3-[4-(3,5-difluorophenyl)phenyl]-1-methyl-1-[1-(5-methylpyridine-3-carbonyl)piperidin-4-yl]urea is Cc1cncc(C(=O)N2CCC(N(C)C(=O)Nc3ccc(-c4cc(F)cc(F)c4)cc3)CC2)c1.

What is the InChIKey of 3-[4-(3,5-difluorophenyl)phenyl]-1-methyl-1-[1-(5-methylpyridine-3-carbonyl)piperidin-4-yl]urea?

The InChIKey is YMZIGLKNGLXQDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26F2N4O2/c1-17-11-20(16-29-15-17)25(33)32-9-7-24(8-10-32)31(2)26(34)30-23-5-3-18(4-6-23)19-12-21(27)14-22(28)13-19/h3-6,11-16,24H,7-10H2,1-2H3,(H,30,34).

What are the key properties of 3-[4-(3,5-difluorophenyl)phenyl]-1-methyl-1-[1-(5-methylpyridine-3-carbonyl)piperidin-4-yl]urea?

3-[4-(3,5-difluorophenyl)phenyl]-1-methyl-1-[1-(5-methylpyridine-3-carbonyl)piperidin-4-yl]urea has a molecular weight of 464.52 g/mol, XLogP of 5.10, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[4-(3,5-difluorophenyl)phenyl]-1-methyl-1-[1-(5-methylpyridine-3-carbonyl)piperidin-4-yl]urea is sourced from PubChem (CID 20782384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).