N-[4-[4-[2-[[3-(2-aminoethyl)-1H-indol-5-yl]oxy]acetyl]piperazin-1-yl]phenyl]-2-phenylacetamide

C30H33N5O3 — CID 19691157

About N-[4-[4-[2-[[3-(2-aminoethyl)-1H-indol-5-yl]oxy]acetyl]piperazin-1-yl]phenyl]-2-phenylacetamide

N-[4-[4-[2-[[3-(2-aminoethyl)-1H-indol-5-yl]oxy]acetyl]piperazin-1-yl]phenyl]-2-phenylacetamide (PubChem CID 19691157) has the molecular formula C30H33N5O3 and a molecular weight of 511.63 g/mol. Its IUPAC name is N-[4-[4-[2-[[3-(2-aminoethyl)-1H-indol-5-yl]oxy]acetyl]piperazin-1-yl]phenyl]-2-phenylacetamide.

Molecular Properties

• Compound Name: N-[4-[4-[2-[[3-(2-aminoethyl)-1H-indol-5-yl]oxy]acetyl]piperazin-1-yl]phenyl]-2-phenylacetamide
• PubChem CID: 19691157
• Molecular Formula: C30H33N5O3
• Molecular Weight: 511.63 g/mol
• Exact Mass: 511.26
• IUPAC Name: N-[4-[4-[2-[[3-(2-aminoethyl)-1H-indol-5-yl]oxy]acetyl]piperazin-1-yl]phenyl]-2-phenylacetamide
• SMILES: NCCc1c[nH]c2ccc(OCC(=O)N3CCN(c4ccc(NC(=O)Cc5ccccc5)cc4)CC3)cc12
• InChI: InChI=1S/C30H33N5O3/c31-13-12-23-20-32-28-11-10-26(19-27(23)28)38-21-30(37)35-16-14-34(15-17-35)25-8-6-24(7-9-25)33-29(36)18-22-4-2-1-3-5-22/h1-11,19-20,32H,12-18,21,31H2,(H,33,36)
• InChIKey: XOVUHGPBDCAJJR-UHFFFAOYSA-N
• XLogP: 3.58
• TPSA: 103.69 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 5
• Rotatable Bonds: 9
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	511.63
LogP ≤ 5	3.58
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-[2-[[3-(2-aminoethyl)-1H-indol-5-yl]oxy]acetyl]piperazin-1-yl]phenyl]-2-phenylacetamide?

The IUPAC name of N-[4-[4-[2-[[3-(2-aminoethyl)-1H-indol-5-yl]oxy]acetyl]piperazin-1-yl]phenyl]-2-phenylacetamide (CID 19691157) is N-[4-[4-[2-[[3-(2-aminoethyl)-1H-indol-5-yl]oxy]acetyl]piperazin-1-yl]phenyl]-2-phenylacetamide.

What is the SMILES notation for N-[4-[4-[2-[[3-(2-aminoethyl)-1H-indol-5-yl]oxy]acetyl]piperazin-1-yl]phenyl]-2-phenylacetamide?

The canonical SMILES for N-[4-[4-[2-[[3-(2-aminoethyl)-1H-indol-5-yl]oxy]acetyl]piperazin-1-yl]phenyl]-2-phenylacetamide is NCCc1c[nH]c2ccc(OCC(=O)N3CCN(c4ccc(NC(=O)Cc5ccccc5)cc4)CC3)cc12.

What is the InChIKey of N-[4-[4-[2-[[3-(2-aminoethyl)-1H-indol-5-yl]oxy]acetyl]piperazin-1-yl]phenyl]-2-phenylacetamide?

The InChIKey is XOVUHGPBDCAJJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H33N5O3/c31-13-12-23-20-32-28-11-10-26(19-27(23)28)38-21-30(37)35-16-14-34(15-17-35)25-8-6-24(7-9-25)33-29(36)18-22-4-2-1-3-5-22/h1-11,19-20,32H,12-18,21,31H2,(H,33,36).

What are the key properties of N-[4-[4-[2-[[3-(2-aminoethyl)-1H-indol-5-yl]oxy]acetyl]piperazin-1-yl]phenyl]-2-phenylacetamide?

N-[4-[4-[2-[[3-(2-aminoethyl)-1H-indol-5-yl]oxy]acetyl]piperazin-1-yl]phenyl]-2-phenylacetamide has a molecular weight of 511.63 g/mol, XLogP of 3.58, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-[4-[2-[[3-(2-aminoethyl)-1H-indol-5-yl]oxy]acetyl]piperazin-1-yl]phenyl]-2-phenylacetamide is sourced from PubChem (CID 19691157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).