N-[3-[4-(4-methoxyphenyl)piperazin-1-yl]propyl]-2-oxo-2-[1-(2-oxo-2-piperidin-1-ylethyl)indol-3-yl]acetamide

C31H39N5O4 — CID 43957356

About N-[3-[4-(4-methoxyphenyl)piperazin-1-yl]propyl]-2-oxo-2-[1-(2-oxo-2-piperidin-1-ylethyl)indol-3-yl]acetamide

N-[3-[4-(4-methoxyphenyl)piperazin-1-yl]propyl]-2-oxo-2-[1-(2-oxo-2-piperidin-1-ylethyl)indol-3-yl]acetamide (PubChem CID 43957356) has the molecular formula C31H39N5O4 and a molecular weight of 545.68 g/mol. Its IUPAC name is N-[3-[4-(4-methoxyphenyl)piperazin-1-yl]propyl]-2-oxo-2-[1-(2-oxo-2-piperidin-1-ylethyl)indol-3-yl]acetamide.

Molecular Properties

• Compound Name: N-[3-[4-(4-methoxyphenyl)piperazin-1-yl]propyl]-2-oxo-2-[1-(2-oxo-2-piperidin-1-ylethyl)indol-3-yl]acetamide
• PubChem CID: 43957356
• Molecular Formula: C31H39N5O4
• Molecular Weight: 545.68 g/mol
• Exact Mass: 545.30
• IUPAC Name: N-[3-[4-(4-methoxyphenyl)piperazin-1-yl]propyl]-2-oxo-2-[1-(2-oxo-2-piperidin-1-ylethyl)indol-3-yl]acetamide
• SMILES: COc1ccc(N2CCN(CCCNC(=O)C(=O)c3cn(CC(=O)N4CCCCC4)c4ccccc34)CC2)cc1
• InChI: InChI=1S/C31H39N5O4/c1-40-25-12-10-24(11-13-25)34-20-18-33(19-21-34)15-7-14-32-31(39)30(38)27-22-36(28-9-4-3-8-26(27)28)23-29(37)35-16-5-2-6-17-35/h3-4,8-13,22H,2,5-7,14-21,23H2,1H3,(H,32,39)
• InChIKey: LCVVDSIEXXNUAX-UHFFFAOYSA-N
• XLogP: 3.17
• TPSA: 87.12 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 10
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	545.68
LogP ≤ 5	3.17
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[3-[4-(4-methoxyphenyl)piperazin-1-yl]propyl]-2-oxo-2-[1-(2-oxo-2-piperidin-1-ylethyl)indol-3-yl]acetamide?

The IUPAC name of N-[3-[4-(4-methoxyphenyl)piperazin-1-yl]propyl]-2-oxo-2-[1-(2-oxo-2-piperidin-1-ylethyl)indol-3-yl]acetamide (CID 43957356) is N-[3-[4-(4-methoxyphenyl)piperazin-1-yl]propyl]-2-oxo-2-[1-(2-oxo-2-piperidin-1-ylethyl)indol-3-yl]acetamide.

What is the SMILES notation for N-[3-[4-(4-methoxyphenyl)piperazin-1-yl]propyl]-2-oxo-2-[1-(2-oxo-2-piperidin-1-ylethyl)indol-3-yl]acetamide?

The canonical SMILES for N-[3-[4-(4-methoxyphenyl)piperazin-1-yl]propyl]-2-oxo-2-[1-(2-oxo-2-piperidin-1-ylethyl)indol-3-yl]acetamide is COc1ccc(N2CCN(CCCNC(=O)C(=O)c3cn(CC(=O)N4CCCCC4)c4ccccc34)CC2)cc1.

What is the InChIKey of N-[3-[4-(4-methoxyphenyl)piperazin-1-yl]propyl]-2-oxo-2-[1-(2-oxo-2-piperidin-1-ylethyl)indol-3-yl]acetamide?

The InChIKey is LCVVDSIEXXNUAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H39N5O4/c1-40-25-12-10-24(11-13-25)34-20-18-33(19-21-34)15-7-14-32-31(39)30(38)27-22-36(28-9-4-3-8-26(27)28)23-29(37)35-16-5-2-6-17-35/h3-4,8-13,22H,2,5-7,14-21,23H2,1H3,(H,32,39).

What are the key properties of N-[3-[4-(4-methoxyphenyl)piperazin-1-yl]propyl]-2-oxo-2-[1-(2-oxo-2-piperidin-1-ylethyl)indol-3-yl]acetamide?

N-[3-[4-(4-methoxyphenyl)piperazin-1-yl]propyl]-2-oxo-2-[1-(2-oxo-2-piperidin-1-ylethyl)indol-3-yl]acetamide has a molecular weight of 545.68 g/mol, XLogP of 3.17, 10 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-[4-(4-methoxyphenyl)piperazin-1-yl]propyl]-2-oxo-2-[1-(2-oxo-2-piperidin-1-ylethyl)indol-3-yl]acetamide is sourced from PubChem (CID 43957356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).