N-[7-[2-[1-[4-(2,6-dioxopiperidin-3-yl)-2-fluorophenyl]-3-methylpyrrolidin-3-yl]ethyl]-7-azaspiro[3.5]nonan-2-yl]-3-methoxybenzamide

C34H43FN4O4 — CID 175912021

About N-[7-[2-[1-[4-(2,6-dioxopiperidin-3-yl)-2-fluorophenyl]-3-methylpyrrolidin-3-yl]ethyl]-7-azaspiro[3.5]nonan-2-yl]-3-methoxybenzamide

N-[7-[2-[1-[4-(2,6-dioxopiperidin-3-yl)-2-fluorophenyl]-3-methylpyrrolidin-3-yl]ethyl]-7-azaspiro[3.5]nonan-2-yl]-3-methoxybenzamide (PubChem CID 175912021) has the molecular formula C34H43FN4O4 and a molecular weight of 590.74 g/mol. Its IUPAC name is N-[7-[2-[1-[4-(2,6-dioxopiperidin-3-yl)-2-fluorophenyl]-3-methylpyrrolidin-3-yl]ethyl]-7-azaspiro[3.5]nonan-2-yl]-3-methoxybenzamide.

Molecular Properties

• Compound Name: N-[7-[2-[1-[4-(2,6-dioxopiperidin-3-yl)-2-fluorophenyl]-3-methylpyrrolidin-3-yl]ethyl]-7-azaspiro[3.5]nonan-2-yl]-3-methoxybenzamide
• PubChem CID: 175912021
• Molecular Formula: C34H43FN4O4
• Molecular Weight: 590.74 g/mol
• Exact Mass: 590.33
• IUPAC Name: N-[7-[2-[1-[4-(2,6-dioxopiperidin-3-yl)-2-fluorophenyl]-3-methylpyrrolidin-3-yl]ethyl]-7-azaspiro[3.5]nonan-2-yl]-3-methoxybenzamide
• SMILES: COc1cccc(C(=O)NC2CC3(CCN(CCC4(C)CCN(c5ccc(C6CCC(=O)NC6=O)cc5F)C4)CC3)C2)c1
• InChI: InChI=1S/C34H43FN4O4/c1-33(11-17-39(22-33)29-8-6-23(19-28(29)35)27-7-9-30(40)37-32(27)42)10-14-38-15-12-34(13-16-38)20-25(21-34)36-31(41)24-4-3-5-26(18-24)43-2/h3-6,8,18-19,25,27H,7,9-17,20-22H2,1-2H3,(H,36,41)(H,37,40,42)
• InChIKey: HXXOSFXRNASUID-UHFFFAOYSA-N
• XLogP: 4.64
• TPSA: 90.98 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	590.74
LogP ≤ 5	4.64
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

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

The IUPAC name of N-[7-[2-[1-[4-(2,6-dioxopiperidin-3-yl)-2-fluorophenyl]-3-methylpyrrolidin-3-yl]ethyl]-7-azaspiro[3.5]nonan-2-yl]-3-methoxybenzamide (CID 175912021) is N-[7-[2-[1-[4-(2,6-dioxopiperidin-3-yl)-2-fluorophenyl]-3-methylpyrrolidin-3-yl]ethyl]-7-azaspiro[3.5]nonan-2-yl]-3-methoxybenzamide.

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

The canonical SMILES for N-[7-[2-[1-[4-(2,6-dioxopiperidin-3-yl)-2-fluorophenyl]-3-methylpyrrolidin-3-yl]ethyl]-7-azaspiro[3.5]nonan-2-yl]-3-methoxybenzamide is COc1cccc(C(=O)NC2CC3(CCN(CCC4(C)CCN(c5ccc(C6CCC(=O)NC6=O)cc5F)C4)CC3)C2)c1.

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

The InChIKey is HXXOSFXRNASUID-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H43FN4O4/c1-33(11-17-39(22-33)29-8-6-23(19-28(29)35)27-7-9-30(40)37-32(27)42)10-14-38-15-12-34(13-16-38)20-25(21-34)36-31(41)24-4-3-5-26(18-24)43-2/h3-6,8,18-19,25,27H,7,9-17,20-22H2,1-2H3,(H,36,41)(H,37,40,42).

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

N-[7-[2-[1-[4-(2,6-dioxopiperidin-3-yl)-2-fluorophenyl]-3-methylpyrrolidin-3-yl]ethyl]-7-azaspiro[3.5]nonan-2-yl]-3-methoxybenzamide has a molecular weight of 590.74 g/mol, XLogP of 4.64, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[7-[2-[1-[4-(2,6-dioxopiperidin-3-yl)-2-fluorophenyl]-3-methylpyrrolidin-3-yl]ethyl]-7-azaspiro[3.5]nonan-2-yl]-3-methoxybenzamide is sourced from PubChem (CID 175912021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).