2-oxo-2-(2-phenyl-5,6,7,8-tetrahydroindolizin-1-yl)-N-[4-(4-pyridin-2-ylpiperazin-1-yl)phenyl]acetamide

C31H31N5O2 — CID 66878541

About 2-oxo-2-(2-phenyl-5,6,7,8-tetrahydroindolizin-1-yl)-N-[4-(4-pyridin-2-ylpiperazin-1-yl)phenyl]acetamide

2-oxo-2-(2-phenyl-5,6,7,8-tetrahydroindolizin-1-yl)-N-[4-(4-pyridin-2-ylpiperazin-1-yl)phenyl]acetamide (PubChem CID 66878541) has the molecular formula C31H31N5O2 and a molecular weight of 505.62 g/mol. Its IUPAC name is 2-oxo-2-(2-phenyl-5,6,7,8-tetrahydroindolizin-1-yl)-N-[4-(4-pyridin-2-ylpiperazin-1-yl)phenyl]acetamide.

Molecular Properties

• Compound Name: 2-oxo-2-(2-phenyl-5,6,7,8-tetrahydroindolizin-1-yl)-N-[4-(4-pyridin-2-ylpiperazin-1-yl)phenyl]acetamide
• PubChem CID: 66878541
• Molecular Formula: C31H31N5O2
• Molecular Weight: 505.62 g/mol
• Exact Mass: 505.25
• IUPAC Name: 2-oxo-2-(2-phenyl-5,6,7,8-tetrahydroindolizin-1-yl)-N-[4-(4-pyridin-2-ylpiperazin-1-yl)phenyl]acetamide
• SMILES: O=C(Nc1ccc(N2CCN(c3ccccn3)CC2)cc1)C(=O)c1c(-c2ccccc2)cn2c1CCCC2
• InChI: InChI=1S/C31H31N5O2/c37-30(29-26(23-8-2-1-3-9-23)22-36-17-7-5-10-27(29)36)31(38)33-24-12-14-25(15-13-24)34-18-20-35(21-19-34)28-11-4-6-16-32-28/h1-4,6,8-9,11-16,22H,5,7,10,17-21H2,(H,33,38)
• InChIKey: NZJJNTOBPQSBSN-UHFFFAOYSA-N
• XLogP: 5.03
• TPSA: 70.47 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	505.62
LogP ≤ 5	5.03
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

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-oxo-2-(2-phenyl-5,6,7,8-tetrahydroindolizin-1-yl)-N-[4-(4-pyridin-2-ylpiperazin-1-yl)phenyl]acetamide?

The IUPAC name of 2-oxo-2-(2-phenyl-5,6,7,8-tetrahydroindolizin-1-yl)-N-[4-(4-pyridin-2-ylpiperazin-1-yl)phenyl]acetamide (CID 66878541) is 2-oxo-2-(2-phenyl-5,6,7,8-tetrahydroindolizin-1-yl)-N-[4-(4-pyridin-2-ylpiperazin-1-yl)phenyl]acetamide.

What is the SMILES notation for 2-oxo-2-(2-phenyl-5,6,7,8-tetrahydroindolizin-1-yl)-N-[4-(4-pyridin-2-ylpiperazin-1-yl)phenyl]acetamide?

The canonical SMILES for 2-oxo-2-(2-phenyl-5,6,7,8-tetrahydroindolizin-1-yl)-N-[4-(4-pyridin-2-ylpiperazin-1-yl)phenyl]acetamide is O=C(Nc1ccc(N2CCN(c3ccccn3)CC2)cc1)C(=O)c1c(-c2ccccc2)cn2c1CCCC2.

What is the InChIKey of 2-oxo-2-(2-phenyl-5,6,7,8-tetrahydroindolizin-1-yl)-N-[4-(4-pyridin-2-ylpiperazin-1-yl)phenyl]acetamide?

The InChIKey is NZJJNTOBPQSBSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H31N5O2/c37-30(29-26(23-8-2-1-3-9-23)22-36-17-7-5-10-27(29)36)31(38)33-24-12-14-25(15-13-24)34-18-20-35(21-19-34)28-11-4-6-16-32-28/h1-4,6,8-9,11-16,22H,5,7,10,17-21H2,(H,33,38).

What are the key properties of 2-oxo-2-(2-phenyl-5,6,7,8-tetrahydroindolizin-1-yl)-N-[4-(4-pyridin-2-ylpiperazin-1-yl)phenyl]acetamide?

2-oxo-2-(2-phenyl-5,6,7,8-tetrahydroindolizin-1-yl)-N-[4-(4-pyridin-2-ylpiperazin-1-yl)phenyl]acetamide has a molecular weight of 505.62 g/mol, XLogP of 5.03, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-oxo-2-(2-phenyl-5,6,7,8-tetrahydroindolizin-1-yl)-N-[4-(4-pyridin-2-ylpiperazin-1-yl)phenyl]acetamide is sourced from PubChem (CID 66878541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).