4-[2-[2-[2-(4-aminopiperidin-1-yl)ethoxy]ethoxy]ethylamino]-2-(1-methyl-2,6-dioxopiperidin-3-yl)isoindole-1,3-dione

C25H35N5O6 — CID 156865742

About 4-[2-[2-[2-(4-aminopiperidin-1-yl)ethoxy]ethoxy]ethylamino]-2-(1-methyl-2,6-dioxopiperidin-3-yl)isoindole-1,3-dione

4-[2-[2-[2-(4-aminopiperidin-1-yl)ethoxy]ethoxy]ethylamino]-2-(1-methyl-2,6-dioxopiperidin-3-yl)isoindole-1,3-dione (PubChem CID 156865742) has the molecular formula C25H35N5O6 and a molecular weight of 501.58 g/mol. Its IUPAC name is 4-[2-[2-[2-(4-aminopiperidin-1-yl)ethoxy]ethoxy]ethylamino]-2-(1-methyl-2,6-dioxopiperidin-3-yl)isoindole-1,3-dione.

Molecular Properties

• Compound Name: 4-[2-[2-[2-(4-aminopiperidin-1-yl)ethoxy]ethoxy]ethylamino]-2-(1-methyl-2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
• PubChem CID: 156865742
• Molecular Formula: C25H35N5O6
• Molecular Weight: 501.58 g/mol
• Exact Mass: 501.26
• IUPAC Name: 4-[2-[2-[2-(4-aminopiperidin-1-yl)ethoxy]ethoxy]ethylamino]-2-(1-methyl-2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
• SMILES: CN1C(=O)CCC(N2C(=O)c3cccc(NCCOCCOCCN4CCC(N)CC4)c3C2=O)C1=O
• InChI: InChI=1S/C25H35N5O6/c1-28-21(31)6-5-20(24(28)33)30-23(32)18-3-2-4-19(22(18)25(30)34)27-9-13-35-15-16-36-14-12-29-10-7-17(26)8-11-29/h2-4,17,20,27H,5-16,26H2,1H3
• InChIKey: ABAJAGBCILVIHD-UHFFFAOYSA-N
• XLogP: 0.30
• TPSA: 134.51 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 11
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	501.58
LogP ≤ 5	0.30
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4-[2-[2-[2-(4-aminopiperidin-1-yl)ethoxy]ethoxy]ethylamino]-2-(1-methyl-2,6-dioxopiperidin-3-yl)isoindole-1,3-dione?

The IUPAC name of 4-[2-[2-[2-(4-aminopiperidin-1-yl)ethoxy]ethoxy]ethylamino]-2-(1-methyl-2,6-dioxopiperidin-3-yl)isoindole-1,3-dione (CID 156865742) is 4-[2-[2-[2-(4-aminopiperidin-1-yl)ethoxy]ethoxy]ethylamino]-2-(1-methyl-2,6-dioxopiperidin-3-yl)isoindole-1,3-dione.

What is the SMILES notation for 4-[2-[2-[2-(4-aminopiperidin-1-yl)ethoxy]ethoxy]ethylamino]-2-(1-methyl-2,6-dioxopiperidin-3-yl)isoindole-1,3-dione?

The canonical SMILES for 4-[2-[2-[2-(4-aminopiperidin-1-yl)ethoxy]ethoxy]ethylamino]-2-(1-methyl-2,6-dioxopiperidin-3-yl)isoindole-1,3-dione is CN1C(=O)CCC(N2C(=O)c3cccc(NCCOCCOCCN4CCC(N)CC4)c3C2=O)C1=O.

What is the InChIKey of 4-[2-[2-[2-(4-aminopiperidin-1-yl)ethoxy]ethoxy]ethylamino]-2-(1-methyl-2,6-dioxopiperidin-3-yl)isoindole-1,3-dione?

The InChIKey is ABAJAGBCILVIHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H35N5O6/c1-28-21(31)6-5-20(24(28)33)30-23(32)18-3-2-4-19(22(18)25(30)34)27-9-13-35-15-16-36-14-12-29-10-7-17(26)8-11-29/h2-4,17,20,27H,5-16,26H2,1H3.

What are the key properties of 4-[2-[2-[2-(4-aminopiperidin-1-yl)ethoxy]ethoxy]ethylamino]-2-(1-methyl-2,6-dioxopiperidin-3-yl)isoindole-1,3-dione?

4-[2-[2-[2-(4-aminopiperidin-1-yl)ethoxy]ethoxy]ethylamino]-2-(1-methyl-2,6-dioxopiperidin-3-yl)isoindole-1,3-dione has a molecular weight of 501.58 g/mol, XLogP of 0.30, 11 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[2-[2-[2-(4-aminopiperidin-1-yl)ethoxy]ethoxy]ethylamino]-2-(1-methyl-2,6-dioxopiperidin-3-yl)isoindole-1,3-dione is sourced from PubChem (CID 156865742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).