1-(4-methoxyphenyl)-3-[4-methyl-6-(2-piperidin-2-ylethylamino)-1,3-diazinan-2-yl]urea

C20H34N6O2 — CID 145146938

About 1-(4-methoxyphenyl)-3-[4-methyl-6-(2-piperidin-2-ylethylamino)-1,3-diazinan-2-yl]urea

1-(4-methoxyphenyl)-3-[4-methyl-6-(2-piperidin-2-ylethylamino)-1,3-diazinan-2-yl]urea (PubChem CID 145146938) has the molecular formula C20H34N6O2 and a molecular weight of 390.53 g/mol. Its IUPAC name is 1-(4-methoxyphenyl)-3-[4-methyl-6-(2-piperidin-2-ylethylamino)-1,3-diazinan-2-yl]urea.

Molecular Properties

• Compound Name: 1-(4-methoxyphenyl)-3-[4-methyl-6-(2-piperidin-2-ylethylamino)-1,3-diazinan-2-yl]urea
• PubChem CID: 145146938
• Molecular Formula: C20H34N6O2
• Molecular Weight: 390.53 g/mol
• Exact Mass: 390.27
• IUPAC Name: 1-(4-methoxyphenyl)-3-[4-methyl-6-(2-piperidin-2-ylethylamino)-1,3-diazinan-2-yl]urea
• SMILES: COc1ccc(NC(=O)NC2NC(C)CC(NCCC3CCCCN3)N2)cc1
• InChI: InChI=1S/C20H34N6O2/c1-14-13-18(22-12-10-15-5-3-4-11-21-15)25-19(23-14)26-20(27)24-16-6-8-17(28-2)9-7-16/h6-9,14-15,18-19,21-23,25H,3-5,10-13H2,1-2H3,(H2,24,26,27)
• InChIKey: QYZZWCAJKQKKRO-UHFFFAOYSA-N
• XLogP: 1.52
• TPSA: 98.48 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	390.53
LogP ≤ 5	1.52
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxyphenyl)-3-[4-methyl-6-(2-piperidin-2-ylethylamino)-1,3-diazinan-2-yl]urea?

The IUPAC name of 1-(4-methoxyphenyl)-3-[4-methyl-6-(2-piperidin-2-ylethylamino)-1,3-diazinan-2-yl]urea (CID 145146938) is 1-(4-methoxyphenyl)-3-[4-methyl-6-(2-piperidin-2-ylethylamino)-1,3-diazinan-2-yl]urea.

What is the SMILES notation for 1-(4-methoxyphenyl)-3-[4-methyl-6-(2-piperidin-2-ylethylamino)-1,3-diazinan-2-yl]urea?

The canonical SMILES for 1-(4-methoxyphenyl)-3-[4-methyl-6-(2-piperidin-2-ylethylamino)-1,3-diazinan-2-yl]urea is COc1ccc(NC(=O)NC2NC(C)CC(NCCC3CCCCN3)N2)cc1.

What is the InChIKey of 1-(4-methoxyphenyl)-3-[4-methyl-6-(2-piperidin-2-ylethylamino)-1,3-diazinan-2-yl]urea?

The InChIKey is QYZZWCAJKQKKRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H34N6O2/c1-14-13-18(22-12-10-15-5-3-4-11-21-15)25-19(23-14)26-20(27)24-16-6-8-17(28-2)9-7-16/h6-9,14-15,18-19,21-23,25H,3-5,10-13H2,1-2H3,(H2,24,26,27).

What are the key properties of 1-(4-methoxyphenyl)-3-[4-methyl-6-(2-piperidin-2-ylethylamino)-1,3-diazinan-2-yl]urea?

1-(4-methoxyphenyl)-3-[4-methyl-6-(2-piperidin-2-ylethylamino)-1,3-diazinan-2-yl]urea has a molecular weight of 390.53 g/mol, XLogP of 1.52, 7 rotatable bonds, 6 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(4-methoxyphenyl)-3-[4-methyl-6-(2-piperidin-2-ylethylamino)-1,3-diazinan-2-yl]urea is sourced from PubChem (CID 145146938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).