1-(4-benzylpiperazin-1-yl)-3-[1-[3-(2-methylimidazol-1-yl)propanoyl]piperidin-3-yl]propan-1-one

C26H37N5O2 — CID 45184157

About 1-(4-benzylpiperazin-1-yl)-3-[1-[3-(2-methylimidazol-1-yl)propanoyl]piperidin-3-yl]propan-1-one

1-(4-benzylpiperazin-1-yl)-3-[1-[3-(2-methylimidazol-1-yl)propanoyl]piperidin-3-yl]propan-1-one (PubChem CID 45184157) has the molecular formula C26H37N5O2 and a molecular weight of 451.62 g/mol. Its IUPAC name is 1-(4-benzylpiperazin-1-yl)-3-[1-[3-(2-methylimidazol-1-yl)propanoyl]piperidin-3-yl]propan-1-one.

Molecular Properties

• Compound Name: 1-(4-benzylpiperazin-1-yl)-3-[1-[3-(2-methylimidazol-1-yl)propanoyl]piperidin-3-yl]propan-1-one
• PubChem CID: 45184157
• Molecular Formula: C26H37N5O2
• Molecular Weight: 451.62 g/mol
• Exact Mass: 451.29
• IUPAC Name: 1-(4-benzylpiperazin-1-yl)-3-[1-[3-(2-methylimidazol-1-yl)propanoyl]piperidin-3-yl]propan-1-one
• SMILES: Cc1nccn1CCC(=O)N1CCCC(CCC(=O)N2CCN(Cc3ccccc3)CC2)C1
• InChI: InChI=1S/C26H37N5O2/c1-22-27-12-15-29(22)14-11-26(33)31-13-5-8-24(21-31)9-10-25(32)30-18-16-28(17-19-30)20-23-6-3-2-4-7-23/h2-4,6-7,12,15,24H,5,8-11,13-14,16-21H2,1H3
• InChIKey: ZANPLQDBMXBHEZ-UHFFFAOYSA-N
• XLogP: 2.94
• TPSA: 61.68 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 8
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	451.62
LogP ≤ 5	2.94
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 1-(4-benzylpiperazin-1-yl)-3-[1-[3-(2-methylimidazol-1-yl)propanoyl]piperidin-3-yl]propan-1-one?

The IUPAC name of 1-(4-benzylpiperazin-1-yl)-3-[1-[3-(2-methylimidazol-1-yl)propanoyl]piperidin-3-yl]propan-1-one (CID 45184157) is 1-(4-benzylpiperazin-1-yl)-3-[1-[3-(2-methylimidazol-1-yl)propanoyl]piperidin-3-yl]propan-1-one.

What is the SMILES notation for 1-(4-benzylpiperazin-1-yl)-3-[1-[3-(2-methylimidazol-1-yl)propanoyl]piperidin-3-yl]propan-1-one?

The canonical SMILES for 1-(4-benzylpiperazin-1-yl)-3-[1-[3-(2-methylimidazol-1-yl)propanoyl]piperidin-3-yl]propan-1-one is Cc1nccn1CCC(=O)N1CCCC(CCC(=O)N2CCN(Cc3ccccc3)CC2)C1.

What is the InChIKey of 1-(4-benzylpiperazin-1-yl)-3-[1-[3-(2-methylimidazol-1-yl)propanoyl]piperidin-3-yl]propan-1-one?

The InChIKey is ZANPLQDBMXBHEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H37N5O2/c1-22-27-12-15-29(22)14-11-26(33)31-13-5-8-24(21-31)9-10-25(32)30-18-16-28(17-19-30)20-23-6-3-2-4-7-23/h2-4,6-7,12,15,24H,5,8-11,13-14,16-21H2,1H3.

What are the key properties of 1-(4-benzylpiperazin-1-yl)-3-[1-[3-(2-methylimidazol-1-yl)propanoyl]piperidin-3-yl]propan-1-one?

1-(4-benzylpiperazin-1-yl)-3-[1-[3-(2-methylimidazol-1-yl)propanoyl]piperidin-3-yl]propan-1-one has a molecular weight of 451.62 g/mol, XLogP of 2.94, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(4-benzylpiperazin-1-yl)-3-[1-[3-(2-methylimidazol-1-yl)propanoyl]piperidin-3-yl]propan-1-one is sourced from PubChem (CID 45184157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).