2-(2-cyclopentyl-5,6,7,8-tetrahydroindolizin-3-yl)-N-[4-[4-(2,2-dimethylpropyl)piperazin-1-yl]phenyl]-2-oxoacetamide

C30H42N4O2 — CID 25121318

About 2-(2-cyclopentyl-5,6,7,8-tetrahydroindolizin-3-yl)-N-[4-[4-(2,2-dimethylpropyl)piperazin-1-yl]phenyl]-2-oxoacetamide

2-(2-cyclopentyl-5,6,7,8-tetrahydroindolizin-3-yl)-N-[4-[4-(2,2-dimethylpropyl)piperazin-1-yl]phenyl]-2-oxoacetamide (PubChem CID 25121318) has the molecular formula C30H42N4O2 and a molecular weight of 490.69 g/mol. Its IUPAC name is 2-(2-cyclopentyl-5,6,7,8-tetrahydroindolizin-3-yl)-N-[4-[4-(2,2-dimethylpropyl)piperazin-1-yl]phenyl]-2-oxoacetamide.

Molecular Properties

• Compound Name: 2-(2-cyclopentyl-5,6,7,8-tetrahydroindolizin-3-yl)-N-[4-[4-(2,2-dimethylpropyl)piperazin-1-yl]phenyl]-2-oxoacetamide
• PubChem CID: 25121318
• Molecular Formula: C30H42N4O2
• Molecular Weight: 490.69 g/mol
• Exact Mass: 490.33
• IUPAC Name: 2-(2-cyclopentyl-5,6,7,8-tetrahydroindolizin-3-yl)-N-[4-[4-(2,2-dimethylpropyl)piperazin-1-yl]phenyl]-2-oxoacetamide
• SMILES: CC(C)(C)CN1CCN(c2ccc(NC(=O)C(=O)c3c(C4CCCC4)cc4n3CCCC4)cc2)CC1
• InChI: InChI=1S/C30H42N4O2/c1-30(2,3)21-32-16-18-33(19-17-32)24-13-11-23(12-14-24)31-29(36)28(35)27-26(22-8-4-5-9-22)20-25-10-6-7-15-34(25)27/h11-14,20,22H,4-10,15-19,21H2,1-3H3,(H,31,36)
• InChIKey: FMVXSNQSABLHIM-UHFFFAOYSA-N
• XLogP: 5.47
• TPSA: 57.58 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	490.69
LogP ≤ 5	5.47
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-(2-cyclopentyl-5,6,7,8-tetrahydroindolizin-3-yl)-N-[4-[4-(2,2-dimethylpropyl)piperazin-1-yl]phenyl]-2-oxoacetamide?

The IUPAC name of 2-(2-cyclopentyl-5,6,7,8-tetrahydroindolizin-3-yl)-N-[4-[4-(2,2-dimethylpropyl)piperazin-1-yl]phenyl]-2-oxoacetamide (CID 25121318) is 2-(2-cyclopentyl-5,6,7,8-tetrahydroindolizin-3-yl)-N-[4-[4-(2,2-dimethylpropyl)piperazin-1-yl]phenyl]-2-oxoacetamide.

What is the SMILES notation for 2-(2-cyclopentyl-5,6,7,8-tetrahydroindolizin-3-yl)-N-[4-[4-(2,2-dimethylpropyl)piperazin-1-yl]phenyl]-2-oxoacetamide?

The canonical SMILES for 2-(2-cyclopentyl-5,6,7,8-tetrahydroindolizin-3-yl)-N-[4-[4-(2,2-dimethylpropyl)piperazin-1-yl]phenyl]-2-oxoacetamide is CC(C)(C)CN1CCN(c2ccc(NC(=O)C(=O)c3c(C4CCCC4)cc4n3CCCC4)cc2)CC1.

What is the InChIKey of 2-(2-cyclopentyl-5,6,7,8-tetrahydroindolizin-3-yl)-N-[4-[4-(2,2-dimethylpropyl)piperazin-1-yl]phenyl]-2-oxoacetamide?

The InChIKey is FMVXSNQSABLHIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H42N4O2/c1-30(2,3)21-32-16-18-33(19-17-32)24-13-11-23(12-14-24)31-29(36)28(35)27-26(22-8-4-5-9-22)20-25-10-6-7-15-34(25)27/h11-14,20,22H,4-10,15-19,21H2,1-3H3,(H,31,36).

What are the key properties of 2-(2-cyclopentyl-5,6,7,8-tetrahydroindolizin-3-yl)-N-[4-[4-(2,2-dimethylpropyl)piperazin-1-yl]phenyl]-2-oxoacetamide?

2-(2-cyclopentyl-5,6,7,8-tetrahydroindolizin-3-yl)-N-[4-[4-(2,2-dimethylpropyl)piperazin-1-yl]phenyl]-2-oxoacetamide has a molecular weight of 490.69 g/mol, XLogP of 5.47, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(2-cyclopentyl-5,6,7,8-tetrahydroindolizin-3-yl)-N-[4-[4-(2,2-dimethylpropyl)piperazin-1-yl]phenyl]-2-oxoacetamide is sourced from PubChem (CID 25121318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).