N-[7-[[1-[4-(2,6-dioxopiperidin-3-yl)-2-fluorophenyl]piperidin-4-yl]methyl]-7-azaspiro[3.5]nonan-2-yl]-2-fluoro-5-methylbenzamide

C33H40F2N4O3 — CID 175911995

About N-[7-[[1-[4-(2,6-dioxopiperidin-3-yl)-2-fluorophenyl]piperidin-4-yl]methyl]-7-azaspiro[3.5]nonan-2-yl]-2-fluoro-5-methylbenzamide

N-[7-[[1-[4-(2,6-dioxopiperidin-3-yl)-2-fluorophenyl]piperidin-4-yl]methyl]-7-azaspiro[3.5]nonan-2-yl]-2-fluoro-5-methylbenzamide (PubChem CID 175911995) has the molecular formula C33H40F2N4O3 and a molecular weight of 578.70 g/mol. Its IUPAC name is N-[7-[[1-[4-(2,6-dioxopiperidin-3-yl)-2-fluorophenyl]piperidin-4-yl]methyl]-7-azaspiro[3.5]nonan-2-yl]-2-fluoro-5-methylbenzamide.

Molecular Properties

• Compound Name: N-[7-[[1-[4-(2,6-dioxopiperidin-3-yl)-2-fluorophenyl]piperidin-4-yl]methyl]-7-azaspiro[3.5]nonan-2-yl]-2-fluoro-5-methylbenzamide
• PubChem CID: 175911995
• Molecular Formula: C33H40F2N4O3
• Molecular Weight: 578.70 g/mol
• Exact Mass: 578.31
• IUPAC Name: N-[7-[[1-[4-(2,6-dioxopiperidin-3-yl)-2-fluorophenyl]piperidin-4-yl]methyl]-7-azaspiro[3.5]nonan-2-yl]-2-fluoro-5-methylbenzamide
• SMILES: Cc1ccc(F)c(C(=O)NC2CC3(CCN(CC4CCN(c5ccc(C6CCC(=O)NC6=O)cc5F)CC4)CC3)C2)c1
• InChI: InChI=1S/C33H40F2N4O3/c1-21-2-5-27(34)26(16-21)32(42)36-24-18-33(19-24)10-14-38(15-11-33)20-22-8-12-39(13-9-22)29-6-3-23(17-28(29)35)25-4-7-30(40)37-31(25)41/h2-3,5-6,16-17,22,24-25H,4,7-15,18-20H2,1H3,(H,36,42)(H,37,40,41)
• InChIKey: CESUMZKAEDREMB-UHFFFAOYSA-N
• XLogP: 4.68
• TPSA: 81.75 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	578.70
LogP ≤ 5	4.68
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

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)-2-fluorophenyl]piperidin-4-yl]methyl]-7-azaspiro[3.5]nonan-2-yl]-2-fluoro-5-methylbenzamide?

The IUPAC name of N-[7-[[1-[4-(2,6-dioxopiperidin-3-yl)-2-fluorophenyl]piperidin-4-yl]methyl]-7-azaspiro[3.5]nonan-2-yl]-2-fluoro-5-methylbenzamide (CID 175911995) is N-[7-[[1-[4-(2,6-dioxopiperidin-3-yl)-2-fluorophenyl]piperidin-4-yl]methyl]-7-azaspiro[3.5]nonan-2-yl]-2-fluoro-5-methylbenzamide.

What is the SMILES notation for N-[7-[[1-[4-(2,6-dioxopiperidin-3-yl)-2-fluorophenyl]piperidin-4-yl]methyl]-7-azaspiro[3.5]nonan-2-yl]-2-fluoro-5-methylbenzamide?

The canonical SMILES for N-[7-[[1-[4-(2,6-dioxopiperidin-3-yl)-2-fluorophenyl]piperidin-4-yl]methyl]-7-azaspiro[3.5]nonan-2-yl]-2-fluoro-5-methylbenzamide is Cc1ccc(F)c(C(=O)NC2CC3(CCN(CC4CCN(c5ccc(C6CCC(=O)NC6=O)cc5F)CC4)CC3)C2)c1.

What is the InChIKey of N-[7-[[1-[4-(2,6-dioxopiperidin-3-yl)-2-fluorophenyl]piperidin-4-yl]methyl]-7-azaspiro[3.5]nonan-2-yl]-2-fluoro-5-methylbenzamide?

The InChIKey is CESUMZKAEDREMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H40F2N4O3/c1-21-2-5-27(34)26(16-21)32(42)36-24-18-33(19-24)10-14-38(15-11-33)20-22-8-12-39(13-9-22)29-6-3-23(17-28(29)35)25-4-7-30(40)37-31(25)41/h2-3,5-6,16-17,22,24-25H,4,7-15,18-20H2,1H3,(H,36,42)(H,37,40,41).

What are the key properties of N-[7-[[1-[4-(2,6-dioxopiperidin-3-yl)-2-fluorophenyl]piperidin-4-yl]methyl]-7-azaspiro[3.5]nonan-2-yl]-2-fluoro-5-methylbenzamide?

N-[7-[[1-[4-(2,6-dioxopiperidin-3-yl)-2-fluorophenyl]piperidin-4-yl]methyl]-7-azaspiro[3.5]nonan-2-yl]-2-fluoro-5-methylbenzamide has a molecular weight of 578.70 g/mol, XLogP of 4.68, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[7-[[1-[4-(2,6-dioxopiperidin-3-yl)-2-fluorophenyl]piperidin-4-yl]methyl]-7-azaspiro[3.5]nonan-2-yl]-2-fluoro-5-methylbenzamide is sourced from PubChem (CID 175911995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).