N-[7-[[1-[4-(2,6-dioxopiperidin-3-yl)-3-methoxyphenyl]piperidin-4-yl]methyl]-7-azaspiro[3.5]nonan-2-yl]-3-methoxybenzamide

C34H44N4O5 — CID 175912018

About N-[7-[[1-[4-(2,6-dioxopiperidin-3-yl)-3-methoxyphenyl]piperidin-4-yl]methyl]-7-azaspiro[3.5]nonan-2-yl]-3-methoxybenzamide

N-[7-[[1-[4-(2,6-dioxopiperidin-3-yl)-3-methoxyphenyl]piperidin-4-yl]methyl]-7-azaspiro[3.5]nonan-2-yl]-3-methoxybenzamide (PubChem CID 175912018) has the molecular formula C34H44N4O5 and a molecular weight of 588.75 g/mol. Its IUPAC name is N-[7-[[1-[4-(2,6-dioxopiperidin-3-yl)-3-methoxyphenyl]piperidin-4-yl]methyl]-7-azaspiro[3.5]nonan-2-yl]-3-methoxybenzamide.

Molecular Properties

• Compound Name: N-[7-[[1-[4-(2,6-dioxopiperidin-3-yl)-3-methoxyphenyl]piperidin-4-yl]methyl]-7-azaspiro[3.5]nonan-2-yl]-3-methoxybenzamide
• PubChem CID: 175912018
• Molecular Formula: C34H44N4O5
• Molecular Weight: 588.75 g/mol
• Exact Mass: 588.33
• IUPAC Name: N-[7-[[1-[4-(2,6-dioxopiperidin-3-yl)-3-methoxyphenyl]piperidin-4-yl]methyl]-7-azaspiro[3.5]nonan-2-yl]-3-methoxybenzamide
• SMILES: COc1cccc(C(=O)NC2CC3(CCN(CC4CCN(c5ccc(C6CCC(=O)NC6=O)c(OC)c5)CC4)CC3)C2)c1
• InChI: InChI=1S/C34H44N4O5/c1-42-27-5-3-4-24(18-27)32(40)35-25-20-34(21-25)12-16-37(17-13-34)22-23-10-14-38(15-11-23)26-6-7-28(30(19-26)43-2)29-8-9-31(39)36-33(29)41/h3-7,18-19,23,25,29H,8-17,20-22H2,1-2H3,(H,35,40)(H,36,39,41)
• InChIKey: KXIRGAJYRMJXRZ-UHFFFAOYSA-N
• XLogP: 4.11
• TPSA: 100.21 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 8
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	588.75
LogP ≤ 5	4.11
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[7-[[1-[4-(2,6-dioxopiperidin-3-yl)-3-methoxyphenyl]piperidin-4-yl]methyl]-7-azaspiro[3.5]nonan-2-yl]-3-methoxybenzamide?

The IUPAC name of N-[7-[[1-[4-(2,6-dioxopiperidin-3-yl)-3-methoxyphenyl]piperidin-4-yl]methyl]-7-azaspiro[3.5]nonan-2-yl]-3-methoxybenzamide (CID 175912018) is N-[7-[[1-[4-(2,6-dioxopiperidin-3-yl)-3-methoxyphenyl]piperidin-4-yl]methyl]-7-azaspiro[3.5]nonan-2-yl]-3-methoxybenzamide.

What is the SMILES notation for N-[7-[[1-[4-(2,6-dioxopiperidin-3-yl)-3-methoxyphenyl]piperidin-4-yl]methyl]-7-azaspiro[3.5]nonan-2-yl]-3-methoxybenzamide?

The canonical SMILES for N-[7-[[1-[4-(2,6-dioxopiperidin-3-yl)-3-methoxyphenyl]piperidin-4-yl]methyl]-7-azaspiro[3.5]nonan-2-yl]-3-methoxybenzamide is COc1cccc(C(=O)NC2CC3(CCN(CC4CCN(c5ccc(C6CCC(=O)NC6=O)c(OC)c5)CC4)CC3)C2)c1.

What is the InChIKey of N-[7-[[1-[4-(2,6-dioxopiperidin-3-yl)-3-methoxyphenyl]piperidin-4-yl]methyl]-7-azaspiro[3.5]nonan-2-yl]-3-methoxybenzamide?

The InChIKey is KXIRGAJYRMJXRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H44N4O5/c1-42-27-5-3-4-24(18-27)32(40)35-25-20-34(21-25)12-16-37(17-13-34)22-23-10-14-38(15-11-23)26-6-7-28(30(19-26)43-2)29-8-9-31(39)36-33(29)41/h3-7,18-19,23,25,29H,8-17,20-22H2,1-2H3,(H,35,40)(H,36,39,41).

What are the key properties of N-[7-[[1-[4-(2,6-dioxopiperidin-3-yl)-3-methoxyphenyl]piperidin-4-yl]methyl]-7-azaspiro[3.5]nonan-2-yl]-3-methoxybenzamide?

N-[7-[[1-[4-(2,6-dioxopiperidin-3-yl)-3-methoxyphenyl]piperidin-4-yl]methyl]-7-azaspiro[3.5]nonan-2-yl]-3-methoxybenzamide has a molecular weight of 588.75 g/mol, XLogP of 4.11, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[7-[[1-[4-(2,6-dioxopiperidin-3-yl)-3-methoxyphenyl]piperidin-4-yl]methyl]-7-azaspiro[3.5]nonan-2-yl]-3-methoxybenzamide is sourced from PubChem (CID 175912018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).