N-[1-[formyl-[(2-methoxyphenyl)methyl]amino]-3-(1H-indol-3-yl)propan-2-yl]-2-(4-phenylpiperazin-1-yl)acetamide

C32H37N5O3 — CID 10578351

About N-[1-[formyl-[(2-methoxyphenyl)methyl]amino]-3-(1H-indol-3-yl)propan-2-yl]-2-(4-phenylpiperazin-1-yl)acetamide

N-[1-[formyl-[(2-methoxyphenyl)methyl]amino]-3-(1H-indol-3-yl)propan-2-yl]-2-(4-phenylpiperazin-1-yl)acetamide (PubChem CID 10578351) has the molecular formula C32H37N5O3 and a molecular weight of 539.68 g/mol. Its IUPAC name is N-[1-[formyl-[(2-methoxyphenyl)methyl]amino]-3-(1H-indol-3-yl)propan-2-yl]-2-(4-phenylpiperazin-1-yl)acetamide.

Molecular Properties

• Compound Name: N-[1-[formyl-[(2-methoxyphenyl)methyl]amino]-3-(1H-indol-3-yl)propan-2-yl]-2-(4-phenylpiperazin-1-yl)acetamide
• PubChem CID: 10578351
• Molecular Formula: C32H37N5O3
• Molecular Weight: 539.68 g/mol
• Exact Mass: 539.29
• IUPAC Name: N-[1-[formyl-[(2-methoxyphenyl)methyl]amino]-3-(1H-indol-3-yl)propan-2-yl]-2-(4-phenylpiperazin-1-yl)acetamide
• SMILES: COc1ccccc1CN(C=O)CC(Cc1c[nH]c2ccccc12)NC(=O)CN1CCN(c2ccccc2)CC1
• InChI: InChI=1S/C32H37N5O3/c1-40-31-14-8-5-9-25(31)21-36(24-38)22-27(19-26-20-33-30-13-7-6-12-29(26)30)34-32(39)23-35-15-17-37(18-16-35)28-10-3-2-4-11-28/h2-14,20,24,27,33H,15-19,21-23H2,1H3,(H,34,39)
• InChIKey: CUZLMXOITHIQRF-UHFFFAOYSA-N
• XLogP: 3.68
• TPSA: 80.91 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 12
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	539.68
LogP ≤ 5	3.68
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aldehyde', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[1-[formyl-[(2-methoxyphenyl)methyl]amino]-3-(1H-indol-3-yl)propan-2-yl]-2-(4-phenylpiperazin-1-yl)acetamide?

The IUPAC name of N-[1-[formyl-[(2-methoxyphenyl)methyl]amino]-3-(1H-indol-3-yl)propan-2-yl]-2-(4-phenylpiperazin-1-yl)acetamide (CID 10578351) is N-[1-[formyl-[(2-methoxyphenyl)methyl]amino]-3-(1H-indol-3-yl)propan-2-yl]-2-(4-phenylpiperazin-1-yl)acetamide.

What is the SMILES notation for N-[1-[formyl-[(2-methoxyphenyl)methyl]amino]-3-(1H-indol-3-yl)propan-2-yl]-2-(4-phenylpiperazin-1-yl)acetamide?

The canonical SMILES for N-[1-[formyl-[(2-methoxyphenyl)methyl]amino]-3-(1H-indol-3-yl)propan-2-yl]-2-(4-phenylpiperazin-1-yl)acetamide is COc1ccccc1CN(C=O)CC(Cc1c[nH]c2ccccc12)NC(=O)CN1CCN(c2ccccc2)CC1.

What is the InChIKey of N-[1-[formyl-[(2-methoxyphenyl)methyl]amino]-3-(1H-indol-3-yl)propan-2-yl]-2-(4-phenylpiperazin-1-yl)acetamide?

The InChIKey is CUZLMXOITHIQRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H37N5O3/c1-40-31-14-8-5-9-25(31)21-36(24-38)22-27(19-26-20-33-30-13-7-6-12-29(26)30)34-32(39)23-35-15-17-37(18-16-35)28-10-3-2-4-11-28/h2-14,20,24,27,33H,15-19,21-23H2,1H3,(H,34,39).

What are the key properties of N-[1-[formyl-[(2-methoxyphenyl)methyl]amino]-3-(1H-indol-3-yl)propan-2-yl]-2-(4-phenylpiperazin-1-yl)acetamide?

N-[1-[formyl-[(2-methoxyphenyl)methyl]amino]-3-(1H-indol-3-yl)propan-2-yl]-2-(4-phenylpiperazin-1-yl)acetamide has a molecular weight of 539.68 g/mol, XLogP of 3.68, 12 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[1-[formyl-[(2-methoxyphenyl)methyl]amino]-3-(1H-indol-3-yl)propan-2-yl]-2-(4-phenylpiperazin-1-yl)acetamide is sourced from PubChem (CID 10578351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).