tert-butyl 4-[2-[2-[2-(1,3-dioxoisoindol-2-yl)ethoxy]ethoxy]ethoxy]piperidine-1-carboxylate

C24H34N2O7 — CID 139579331

About tert-butyl 4-[2-[2-[2-(1,3-dioxoisoindol-2-yl)ethoxy]ethoxy]ethoxy]piperidine-1-carboxylate

tert-butyl 4-[2-[2-[2-(1,3-dioxoisoindol-2-yl)ethoxy]ethoxy]ethoxy]piperidine-1-carboxylate (PubChem CID 139579331) has the molecular formula C24H34N2O7 and a molecular weight of 462.54 g/mol. Its IUPAC name is tert-butyl 4-[2-[2-[2-(1,3-dioxoisoindol-2-yl)ethoxy]ethoxy]ethoxy]piperidine-1-carboxylate.

Molecular Properties

• Compound Name: tert-butyl 4-[2-[2-[2-(1,3-dioxoisoindol-2-yl)ethoxy]ethoxy]ethoxy]piperidine-1-carboxylate
• PubChem CID: 139579331
• Molecular Formula: C24H34N2O7
• Molecular Weight: 462.54 g/mol
• Exact Mass: 462.24
• IUPAC Name: tert-butyl 4-[2-[2-[2-(1,3-dioxoisoindol-2-yl)ethoxy]ethoxy]ethoxy]piperidine-1-carboxylate
• SMILES: CC(C)(C)OC(=O)N1CCC(OCCOCCOCCN2C(=O)c3ccccc3C2=O)CC1
• InChI: InChI=1S/C24H34N2O7/c1-24(2,3)33-23(29)25-10-8-18(9-11-25)32-17-16-31-15-14-30-13-12-26-21(27)19-6-4-5-7-20(19)22(26)28/h4-7,18H,8-17H2,1-3H3
• InChIKey: VWKRLGRMACGUAP-UHFFFAOYSA-N
• XLogP: 2.73
• TPSA: 94.61 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 10
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	462.54
LogP ≤ 5	2.73
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

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 tert-butyl 4-[2-[2-[2-(1,3-dioxoisoindol-2-yl)ethoxy]ethoxy]ethoxy]piperidine-1-carboxylate?

The IUPAC name of tert-butyl 4-[2-[2-[2-(1,3-dioxoisoindol-2-yl)ethoxy]ethoxy]ethoxy]piperidine-1-carboxylate (CID 139579331) is tert-butyl 4-[2-[2-[2-(1,3-dioxoisoindol-2-yl)ethoxy]ethoxy]ethoxy]piperidine-1-carboxylate.

What is the SMILES notation for tert-butyl 4-[2-[2-[2-(1,3-dioxoisoindol-2-yl)ethoxy]ethoxy]ethoxy]piperidine-1-carboxylate?

The canonical SMILES for tert-butyl 4-[2-[2-[2-(1,3-dioxoisoindol-2-yl)ethoxy]ethoxy]ethoxy]piperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCC(OCCOCCOCCN2C(=O)c3ccccc3C2=O)CC1.

What is the InChIKey of tert-butyl 4-[2-[2-[2-(1,3-dioxoisoindol-2-yl)ethoxy]ethoxy]ethoxy]piperidine-1-carboxylate?

The InChIKey is VWKRLGRMACGUAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H34N2O7/c1-24(2,3)33-23(29)25-10-8-18(9-11-25)32-17-16-31-15-14-30-13-12-26-21(27)19-6-4-5-7-20(19)22(26)28/h4-7,18H,8-17H2,1-3H3.

What are the key properties of tert-butyl 4-[2-[2-[2-(1,3-dioxoisoindol-2-yl)ethoxy]ethoxy]ethoxy]piperidine-1-carboxylate?

tert-butyl 4-[2-[2-[2-(1,3-dioxoisoindol-2-yl)ethoxy]ethoxy]ethoxy]piperidine-1-carboxylate has a molecular weight of 462.54 g/mol, XLogP of 2.73, 10 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl 4-[2-[2-[2-(1,3-dioxoisoindol-2-yl)ethoxy]ethoxy]ethoxy]piperidine-1-carboxylate is sourced from PubChem (CID 139579331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).