1-[1-(3,5-dimethylpiperidin-1-yl)propan-2-yl]-3-[3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]urea

C20H37N5O — CID 86838513

About 1-[1-(3,5-dimethylpiperidin-1-yl)propan-2-yl]-3-[3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]urea

1-[1-(3,5-dimethylpiperidin-1-yl)propan-2-yl]-3-[3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]urea (PubChem CID 86838513) has the molecular formula C20H37N5O and a molecular weight of 363.55 g/mol. Its IUPAC name is 1-[1-(3,5-dimethylpiperidin-1-yl)propan-2-yl]-3-[3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]urea.

Molecular Properties

• Compound Name: 1-[1-(3,5-dimethylpiperidin-1-yl)propan-2-yl]-3-[3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]urea
• PubChem CID: 86838513
• Molecular Formula: C20H37N5O
• Molecular Weight: 363.55 g/mol
• Exact Mass: 363.30
• IUPAC Name: 1-[1-(3,5-dimethylpiperidin-1-yl)propan-2-yl]-3-[3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]urea
• SMILES: Cc1cc(C)n(CC(C)CNC(=O)NC(C)CN2CC(C)CC(C)C2)n1
• InChI: InChI=1S/C20H37N5O/c1-14-7-15(2)11-24(10-14)13-18(5)22-20(26)21-9-16(3)12-25-19(6)8-17(4)23-25/h8,14-16,18H,7,9-13H2,1-6H3,(H2,21,22,26)
• InChIKey: ZVAPBIBMHCQWGO-UHFFFAOYSA-N
• XLogP: 2.80
• TPSA: 62.19 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 7
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	363.55
LogP ≤ 5	2.80
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 1-[1-(3,5-dimethylpiperidin-1-yl)propan-2-yl]-3-[3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]urea?

The IUPAC name of 1-[1-(3,5-dimethylpiperidin-1-yl)propan-2-yl]-3-[3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]urea (CID 86838513) is 1-[1-(3,5-dimethylpiperidin-1-yl)propan-2-yl]-3-[3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]urea.

What is the SMILES notation for 1-[1-(3,5-dimethylpiperidin-1-yl)propan-2-yl]-3-[3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]urea?

The canonical SMILES for 1-[1-(3,5-dimethylpiperidin-1-yl)propan-2-yl]-3-[3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]urea is Cc1cc(C)n(CC(C)CNC(=O)NC(C)CN2CC(C)CC(C)C2)n1.

What is the InChIKey of 1-[1-(3,5-dimethylpiperidin-1-yl)propan-2-yl]-3-[3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]urea?

The InChIKey is ZVAPBIBMHCQWGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H37N5O/c1-14-7-15(2)11-24(10-14)13-18(5)22-20(26)21-9-16(3)12-25-19(6)8-17(4)23-25/h8,14-16,18H,7,9-13H2,1-6H3,(H2,21,22,26).

What are the key properties of 1-[1-(3,5-dimethylpiperidin-1-yl)propan-2-yl]-3-[3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]urea?

1-[1-(3,5-dimethylpiperidin-1-yl)propan-2-yl]-3-[3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]urea has a molecular weight of 363.55 g/mol, XLogP of 2.80, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[1-(3,5-dimethylpiperidin-1-yl)propan-2-yl]-3-[3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]urea is sourced from PubChem (CID 86838513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).