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

C29H38N4O2 — CID 25121317

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

2-(2-cyclopentyl-5,6,7,8-tetrahydroindolizin-3-yl)-N-[4-[4-(2-methylprop-2-enyl)piperazin-1-yl]phenyl]-2-oxoacetamide (PubChem CID 25121317) has the molecular formula C29H38N4O2 and a molecular weight of 474.65 g/mol. Its IUPAC name is 2-(2-cyclopentyl-5,6,7,8-tetrahydroindolizin-3-yl)-N-[4-[4-(2-methylprop-2-enyl)piperazin-1-yl]phenyl]-2-oxoacetamide.

Molecular Properties

• Compound Name: 2-(2-cyclopentyl-5,6,7,8-tetrahydroindolizin-3-yl)-N-[4-[4-(2-methylprop-2-enyl)piperazin-1-yl]phenyl]-2-oxoacetamide
• PubChem CID: 25121317
• Molecular Formula: C29H38N4O2
• Molecular Weight: 474.65 g/mol
• Exact Mass: 474.30
• IUPAC Name: 2-(2-cyclopentyl-5,6,7,8-tetrahydroindolizin-3-yl)-N-[4-[4-(2-methylprop-2-enyl)piperazin-1-yl]phenyl]-2-oxoacetamide
• SMILES: C=C(C)CN1CCN(c2ccc(NC(=O)C(=O)c3c(C4CCCC4)cc4n3CCCC4)cc2)CC1
• InChI: InChI=1S/C29H38N4O2/c1-21(2)20-31-15-17-32(18-16-31)24-12-10-23(11-13-24)30-29(35)28(34)27-26(22-7-3-4-8-22)19-25-9-5-6-14-33(25)27/h10-13,19,22H,1,3-9,14-18,20H2,2H3,(H,30,35)
• InChIKey: TXQQLVHGJNZREV-UHFFFAOYSA-N
• XLogP: 5.00
• TPSA: 57.58 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	474.65
LogP ≤ 5	5.00
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'}, {'alert_name': 'isolated_alkene', '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-methylprop-2-enyl)piperazin-1-yl]phenyl]-2-oxoacetamide?

The IUPAC name of 2-(2-cyclopentyl-5,6,7,8-tetrahydroindolizin-3-yl)-N-[4-[4-(2-methylprop-2-enyl)piperazin-1-yl]phenyl]-2-oxoacetamide (CID 25121317) is 2-(2-cyclopentyl-5,6,7,8-tetrahydroindolizin-3-yl)-N-[4-[4-(2-methylprop-2-enyl)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-methylprop-2-enyl)piperazin-1-yl]phenyl]-2-oxoacetamide?

The canonical SMILES for 2-(2-cyclopentyl-5,6,7,8-tetrahydroindolizin-3-yl)-N-[4-[4-(2-methylprop-2-enyl)piperazin-1-yl]phenyl]-2-oxoacetamide is C=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-methylprop-2-enyl)piperazin-1-yl]phenyl]-2-oxoacetamide?

The InChIKey is TXQQLVHGJNZREV-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H38N4O2/c1-21(2)20-31-15-17-32(18-16-31)24-12-10-23(11-13-24)30-29(35)28(34)27-26(22-7-3-4-8-22)19-25-9-5-6-14-33(25)27/h10-13,19,22H,1,3-9,14-18,20H2,2H3,(H,30,35).

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

2-(2-cyclopentyl-5,6,7,8-tetrahydroindolizin-3-yl)-N-[4-[4-(2-methylprop-2-enyl)piperazin-1-yl]phenyl]-2-oxoacetamide has a molecular weight of 474.65 g/mol, XLogP of 5.00, 7 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-methylprop-2-enyl)piperazin-1-yl]phenyl]-2-oxoacetamide is sourced from PubChem (CID 25121317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).