tert-butyl N-[4-[[7-[[2-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]-4-pyridinyl]methyl]-7-azaspiro[3.5]nonan-2-yl]oxy]phenyl]carbamate

C38H43N5O6 — CID 165403375

About tert-butyl N-[4-[[7-[[2-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]-4-pyridinyl]methyl]-7-azaspiro[3.5]nonan-2-yl]oxy]phenyl]carbamate

tert-butyl N-[4-[[7-[[2-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]-4-pyridinyl]methyl]-7-azaspiro[3.5]nonan-2-yl]oxy]phenyl]carbamate (PubChem CID 165403375) has the molecular formula C38H43N5O6 and a molecular weight of 665.79 g/mol. Its IUPAC name is tert-butyl N-[4-[[7-[[2-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]-4-pyridinyl]methyl]-7-azaspiro[3.5]nonan-2-yl]oxy]phenyl]carbamate.

Molecular Properties

• Compound Name: tert-butyl N-[4-[[7-[[2-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]-4-pyridinyl]methyl]-7-azaspiro[3.5]nonan-2-yl]oxy]phenyl]carbamate
• PubChem CID: 165403375
• Molecular Formula: C38H43N5O6
• Molecular Weight: 665.79 g/mol
• Exact Mass: 665.32
• IUPAC Name: tert-butyl N-[4-[[7-[[2-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]-4-pyridinyl]methyl]-7-azaspiro[3.5]nonan-2-yl]oxy]phenyl]carbamate
• SMILES: CC(C)(C)OC(=O)Nc1ccc(OC2CC3(CCN(Cc4ccnc(-c5ccc6c(c5)CN(C5CCC(=O)NC5=O)C6=O)c4)CC3)C2)cc1
• InChI: InChI=1S/C38H43N5O6/c1-37(2,3)49-36(47)40-27-5-7-28(8-6-27)48-29-20-38(21-29)13-16-42(17-14-38)22-24-12-15-39-31(18-24)25-4-9-30-26(19-25)23-43(35(30)46)32-10-11-33(44)41-34(32)45/h4-9,12,15,18-19,29,32H,10-11,13-14,16-17,20-23H2,1-3H3,(H,40,47)(H,41,44,45)
• InChIKey: HFTTZGNBXSHMRG-UHFFFAOYSA-N
• XLogP: 5.68
• TPSA: 130.17 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 49
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	665.79
LogP ≤ 5	5.68
H-Bond Donors ≤ 5	2
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 tert-butyl N-[4-[[7-[[2-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]-4-pyridinyl]methyl]-7-azaspiro[3.5]nonan-2-yl]oxy]phenyl]carbamate?

The IUPAC name of tert-butyl N-[4-[[7-[[2-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]-4-pyridinyl]methyl]-7-azaspiro[3.5]nonan-2-yl]oxy]phenyl]carbamate (CID 165403375) is tert-butyl N-[4-[[7-[[2-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]-4-pyridinyl]methyl]-7-azaspiro[3.5]nonan-2-yl]oxy]phenyl]carbamate.

What is the SMILES notation for tert-butyl N-[4-[[7-[[2-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]-4-pyridinyl]methyl]-7-azaspiro[3.5]nonan-2-yl]oxy]phenyl]carbamate?

The canonical SMILES for tert-butyl N-[4-[[7-[[2-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]-4-pyridinyl]methyl]-7-azaspiro[3.5]nonan-2-yl]oxy]phenyl]carbamate is CC(C)(C)OC(=O)Nc1ccc(OC2CC3(CCN(Cc4ccnc(-c5ccc6c(c5)CN(C5CCC(=O)NC5=O)C6=O)c4)CC3)C2)cc1.

What is the InChIKey of tert-butyl N-[4-[[7-[[2-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]-4-pyridinyl]methyl]-7-azaspiro[3.5]nonan-2-yl]oxy]phenyl]carbamate?

The InChIKey is HFTTZGNBXSHMRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H43N5O6/c1-37(2,3)49-36(47)40-27-5-7-28(8-6-27)48-29-20-38(21-29)13-16-42(17-14-38)22-24-12-15-39-31(18-24)25-4-9-30-26(19-25)23-43(35(30)46)32-10-11-33(44)41-34(32)45/h4-9,12,15,18-19,29,32H,10-11,13-14,16-17,20-23H2,1-3H3,(H,40,47)(H,41,44,45).

What are the key properties of tert-butyl N-[4-[[7-[[2-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]-4-pyridinyl]methyl]-7-azaspiro[3.5]nonan-2-yl]oxy]phenyl]carbamate?

tert-butyl N-[4-[[7-[[2-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]-4-pyridinyl]methyl]-7-azaspiro[3.5]nonan-2-yl]oxy]phenyl]carbamate has a molecular weight of 665.79 g/mol, XLogP of 5.68, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl N-[4-[[7-[[2-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]-4-pyridinyl]methyl]-7-azaspiro[3.5]nonan-2-yl]oxy]phenyl]carbamate is sourced from PubChem (CID 165403375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).