1-[4-[4-[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethoxy]benzoyl]piperazin-1-yl]-4-methylpentan-1-one

C26H39N3O4 — CID 55921603

About 1-[4-[4-[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethoxy]benzoyl]piperazin-1-yl]-4-methylpentan-1-one

1-[4-[4-[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethoxy]benzoyl]piperazin-1-yl]-4-methylpentan-1-one (PubChem CID 55921603) has the molecular formula C26H39N3O4 and a molecular weight of 457.62 g/mol. Its IUPAC name is 1-[4-[4-[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethoxy]benzoyl]piperazin-1-yl]-4-methylpentan-1-one.

Molecular Properties

• Compound Name: 1-[4-[4-[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethoxy]benzoyl]piperazin-1-yl]-4-methylpentan-1-one
• PubChem CID: 55921603
• Molecular Formula: C26H39N3O4
• Molecular Weight: 457.62 g/mol
• Exact Mass: 457.29
• IUPAC Name: 1-[4-[4-[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethoxy]benzoyl]piperazin-1-yl]-4-methylpentan-1-one
• SMILES: CC(C)CCC(=O)N1CCN(C(=O)c2ccc(OCC(=O)N3C(C)CCCC3C)cc2)CC1
• InChI: InChI=1S/C26H39N3O4/c1-19(2)8-13-24(30)27-14-16-28(17-15-27)26(32)22-9-11-23(12-10-22)33-18-25(31)29-20(3)6-5-7-21(29)4/h9-12,19-21H,5-8,13-18H2,1-4H3
• InChIKey: GQUHLFRUMDFJDU-UHFFFAOYSA-N
• XLogP: 3.58
• TPSA: 70.16 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 7
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	457.62
LogP ≤ 5	3.58
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 1-[4-[4-[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethoxy]benzoyl]piperazin-1-yl]-4-methylpentan-1-one?

The IUPAC name of 1-[4-[4-[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethoxy]benzoyl]piperazin-1-yl]-4-methylpentan-1-one (CID 55921603) is 1-[4-[4-[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethoxy]benzoyl]piperazin-1-yl]-4-methylpentan-1-one.

What is the SMILES notation for 1-[4-[4-[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethoxy]benzoyl]piperazin-1-yl]-4-methylpentan-1-one?

The canonical SMILES for 1-[4-[4-[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethoxy]benzoyl]piperazin-1-yl]-4-methylpentan-1-one is CC(C)CCC(=O)N1CCN(C(=O)c2ccc(OCC(=O)N3C(C)CCCC3C)cc2)CC1.

What is the InChIKey of 1-[4-[4-[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethoxy]benzoyl]piperazin-1-yl]-4-methylpentan-1-one?

The InChIKey is GQUHLFRUMDFJDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H39N3O4/c1-19(2)8-13-24(30)27-14-16-28(17-15-27)26(32)22-9-11-23(12-10-22)33-18-25(31)29-20(3)6-5-7-21(29)4/h9-12,19-21H,5-8,13-18H2,1-4H3.

What are the key properties of 1-[4-[4-[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethoxy]benzoyl]piperazin-1-yl]-4-methylpentan-1-one?

1-[4-[4-[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethoxy]benzoyl]piperazin-1-yl]-4-methylpentan-1-one has a molecular weight of 457.62 g/mol, XLogP of 3.58, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[4-[4-[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethoxy]benzoyl]piperazin-1-yl]-4-methylpentan-1-one is sourced from PubChem (CID 55921603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).