1-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-3-[2-methyl-2-(6-oxopiperidin-2-yl)propyl]urea

C17H29N5O2 — CID 167944036

About 1-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-3-[2-methyl-2-(6-oxopiperidin-2-yl)propyl]urea

1-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-3-[2-methyl-2-(6-oxopiperidin-2-yl)propyl]urea (PubChem CID 167944036) has the molecular formula C17H29N5O2 and a molecular weight of 335.45 g/mol. Its IUPAC name is 1-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-3-[2-methyl-2-(6-oxopiperidin-2-yl)propyl]urea.

Molecular Properties

• Compound Name: 1-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-3-[2-methyl-2-(6-oxopiperidin-2-yl)propyl]urea
• PubChem CID: 167944036
• Molecular Formula: C17H29N5O2
• Molecular Weight: 335.45 g/mol
• Exact Mass: 335.23
• IUPAC Name: 1-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-3-[2-methyl-2-(6-oxopiperidin-2-yl)propyl]urea
• SMILES: Cc1nn(C)cc1C(C)NC(=O)NCC(C)(C)C1CCCC(=O)N1
• InChI: InChI=1S/C17H29N5O2/c1-11(13-9-22(5)21-12(13)2)19-16(24)18-10-17(3,4)14-7-6-8-15(23)20-14/h9,11,14H,6-8,10H2,1-5H3,(H,20,23)(H2,18,19,24)
• InChIKey: ULXBBSINCYBSGB-UHFFFAOYSA-N
• XLogP: 1.78
• TPSA: 88.05 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 24
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	335.45
LogP ≤ 5	1.78
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 1-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-3-[2-methyl-2-(6-oxopiperidin-2-yl)propyl]urea?

The IUPAC name of 1-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-3-[2-methyl-2-(6-oxopiperidin-2-yl)propyl]urea (CID 167944036) is 1-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-3-[2-methyl-2-(6-oxopiperidin-2-yl)propyl]urea.

What is the SMILES notation for 1-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-3-[2-methyl-2-(6-oxopiperidin-2-yl)propyl]urea?

The canonical SMILES for 1-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-3-[2-methyl-2-(6-oxopiperidin-2-yl)propyl]urea is Cc1nn(C)cc1C(C)NC(=O)NCC(C)(C)C1CCCC(=O)N1.

What is the InChIKey of 1-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-3-[2-methyl-2-(6-oxopiperidin-2-yl)propyl]urea?

The InChIKey is ULXBBSINCYBSGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N5O2/c1-11(13-9-22(5)21-12(13)2)19-16(24)18-10-17(3,4)14-7-6-8-15(23)20-14/h9,11,14H,6-8,10H2,1-5H3,(H,20,23)(H2,18,19,24).

What are the key properties of 1-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-3-[2-methyl-2-(6-oxopiperidin-2-yl)propyl]urea?

1-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-3-[2-methyl-2-(6-oxopiperidin-2-yl)propyl]urea has a molecular weight of 335.45 g/mol, XLogP of 1.78, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-3-[2-methyl-2-(6-oxopiperidin-2-yl)propyl]urea is sourced from PubChem (CID 167944036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).