1-[(2,4-dimethylpiperidin-1-yl)methyl]-4-[3-[4-[(2,4-dimethylpiperidin-1-yl)methyl]-3,5-dioxopiperazin-1-yl]butan-2-yl]piperazine-2,6-dione

C28H48N6O4 — CID 19843400

About 1-[(2,4-dimethylpiperidin-1-yl)methyl]-4-[3-[4-[(2,4-dimethylpiperidin-1-yl)methyl]-3,5-dioxopiperazin-1-yl]butan-2-yl]piperazine-2,6-dione

1-[(2,4-dimethylpiperidin-1-yl)methyl]-4-[3-[4-[(2,4-dimethylpiperidin-1-yl)methyl]-3,5-dioxopiperazin-1-yl]butan-2-yl]piperazine-2,6-dione (PubChem CID 19843400) has the molecular formula C28H48N6O4 and a molecular weight of 532.73 g/mol. Its IUPAC name is 1-[(2,4-dimethylpiperidin-1-yl)methyl]-4-[3-[4-[(2,4-dimethylpiperidin-1-yl)methyl]-3,5-dioxopiperazin-1-yl]butan-2-yl]piperazine-2,6-dione.

Molecular Properties

• Compound Name: 1-[(2,4-dimethylpiperidin-1-yl)methyl]-4-[3-[4-[(2,4-dimethylpiperidin-1-yl)methyl]-3,5-dioxopiperazin-1-yl]butan-2-yl]piperazine-2,6-dione
• PubChem CID: 19843400
• Molecular Formula: C28H48N6O4
• Molecular Weight: 532.73 g/mol
• Exact Mass: 532.37
• IUPAC Name: 1-[(2,4-dimethylpiperidin-1-yl)methyl]-4-[3-[4-[(2,4-dimethylpiperidin-1-yl)methyl]-3,5-dioxopiperazin-1-yl]butan-2-yl]piperazine-2,6-dione
• SMILES: CC1CCN(CN2C(=O)CN(C(C)C(C)N3CC(=O)N(CN4CCC(C)CC4C)C(=O)C3)CC2=O)C(C)C1
• InChI: InChI=1S/C28H48N6O4/c1-19-7-9-29(21(3)11-19)17-33-25(35)13-31(14-26(33)36)23(5)24(6)32-15-27(37)34(28(38)16-32)18-30-10-8-20(2)12-22(30)4/h19-24H,7-18H2,1-6H3
• InChIKey: YYPKRHHOIDTMCD-UHFFFAOYSA-N
• XLogP: 1.26
• TPSA: 87.72 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	532.73
LogP ≤ 5	1.26
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'phthalimide', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-[(2,4-dimethylpiperidin-1-yl)methyl]-4-[3-[4-[(2,4-dimethylpiperidin-1-yl)methyl]-3,5-dioxopiperazin-1-yl]butan-2-yl]piperazine-2,6-dione?

The IUPAC name of 1-[(2,4-dimethylpiperidin-1-yl)methyl]-4-[3-[4-[(2,4-dimethylpiperidin-1-yl)methyl]-3,5-dioxopiperazin-1-yl]butan-2-yl]piperazine-2,6-dione (CID 19843400) is 1-[(2,4-dimethylpiperidin-1-yl)methyl]-4-[3-[4-[(2,4-dimethylpiperidin-1-yl)methyl]-3,5-dioxopiperazin-1-yl]butan-2-yl]piperazine-2,6-dione.

What is the SMILES notation for 1-[(2,4-dimethylpiperidin-1-yl)methyl]-4-[3-[4-[(2,4-dimethylpiperidin-1-yl)methyl]-3,5-dioxopiperazin-1-yl]butan-2-yl]piperazine-2,6-dione?

The canonical SMILES for 1-[(2,4-dimethylpiperidin-1-yl)methyl]-4-[3-[4-[(2,4-dimethylpiperidin-1-yl)methyl]-3,5-dioxopiperazin-1-yl]butan-2-yl]piperazine-2,6-dione is CC1CCN(CN2C(=O)CN(C(C)C(C)N3CC(=O)N(CN4CCC(C)CC4C)C(=O)C3)CC2=O)C(C)C1.

What is the InChIKey of 1-[(2,4-dimethylpiperidin-1-yl)methyl]-4-[3-[4-[(2,4-dimethylpiperidin-1-yl)methyl]-3,5-dioxopiperazin-1-yl]butan-2-yl]piperazine-2,6-dione?

The InChIKey is YYPKRHHOIDTMCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H48N6O4/c1-19-7-9-29(21(3)11-19)17-33-25(35)13-31(14-26(33)36)23(5)24(6)32-15-27(37)34(28(38)16-32)18-30-10-8-20(2)12-22(30)4/h19-24H,7-18H2,1-6H3.

What are the key properties of 1-[(2,4-dimethylpiperidin-1-yl)methyl]-4-[3-[4-[(2,4-dimethylpiperidin-1-yl)methyl]-3,5-dioxopiperazin-1-yl]butan-2-yl]piperazine-2,6-dione?

1-[(2,4-dimethylpiperidin-1-yl)methyl]-4-[3-[4-[(2,4-dimethylpiperidin-1-yl)methyl]-3,5-dioxopiperazin-1-yl]butan-2-yl]piperazine-2,6-dione has a molecular weight of 532.73 g/mol, XLogP of 1.26, 7 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[(2,4-dimethylpiperidin-1-yl)methyl]-4-[3-[4-[(2,4-dimethylpiperidin-1-yl)methyl]-3,5-dioxopiperazin-1-yl]butan-2-yl]piperazine-2,6-dione is sourced from PubChem (CID 19843400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).