2-(1H-indol-3-yl)-N-[3-[4-(4-methoxyphenyl)piperazin-1-yl]propyl]-2-oxoacetamide

C24H28N4O3 — CID 7087103

IUPAC2-(1H-indol-3-yl)-N-[3-[4-(4-methoxyphenyl)piperazin-1-yl]propyl]-2-oxoacetamide
SMILESCOc1ccc(N2CCN(CCCNC(=O)C(=O)c3c[nH]c4ccccc34)CC2)cc1
InChIInChI=1S/C24H28N4O3/c1-31-19-9-7-18(8-10-19)28-15-13-27(14-16-28)12-4-11-25-24(30)23(29)21-17-26-22-6-3-2-5-20(21)22/h2-3,5-10,17,26H,4,11-16H2,1H3,(H,25,30)
InChIKeyADFVWRXTQPTXFD-UHFFFAOYSA-N
MW420.51 g/mol
LogP2.69
Rot. Bonds8

About 2-(1H-indol-3-yl)-N-[3-[4-(4-methoxyphenyl)piperazin-1-yl]propyl]-2-oxoacetamide

2-(1H-indol-3-yl)-N-[3-[4-(4-methoxyphenyl)piperazin-1-yl]propyl]-2-oxoacetamide (PubChem CID 7087103) has the molecular formula C24H28N4O3 and a molecular weight of 420.51 g/mol. Its IUPAC name is 2-(1H-indol-3-yl)-N-[3-[4-(4-methoxyphenyl)piperazin-1-yl]propyl]-2-oxoacetamide.

Molecular Properties

Compound Name2-(1H-indol-3-yl)-N-[3-[4-(4-methoxyphenyl)piperazin-1-yl]propyl]-2-oxoacetamide
PubChem CID7087103
Molecular FormulaC24H28N4O3
Molecular Weight420.51 g/mol
Exact Mass420.22
IUPAC Name2-(1H-indol-3-yl)-N-[3-[4-(4-methoxyphenyl)piperazin-1-yl]propyl]-2-oxoacetamide
SMILESCOc1ccc(N2CCN(CCCNC(=O)C(=O)c3c[nH]c4ccccc34)CC2)cc1
InChIInChI=1S/C24H28N4O3/c1-31-19-9-7-18(8-10-19)28-15-13-27(14-16-28)12-4-11-25-24(30)23(29)21-17-26-22-6-3-2-5-20(21)22/h2-3,5-10,17,26H,4,11-16H2,1H3,(H,25,30)
InChIKeyADFVWRXTQPTXFD-UHFFFAOYSA-N
XLogP2.69
TPSA77.67 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.51
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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'}

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Frequently Asked Questions

What is the IUPAC name of 2-(1H-indol-3-yl)-N-[3-[4-(4-methoxyphenyl)piperazin-1-yl]propyl]-2-oxoacetamide?
The IUPAC name of 2-(1H-indol-3-yl)-N-[3-[4-(4-methoxyphenyl)piperazin-1-yl]propyl]-2-oxoacetamide (CID 7087103) is 2-(1H-indol-3-yl)-N-[3-[4-(4-methoxyphenyl)piperazin-1-yl]propyl]-2-oxoacetamide.
What is the SMILES notation for 2-(1H-indol-3-yl)-N-[3-[4-(4-methoxyphenyl)piperazin-1-yl]propyl]-2-oxoacetamide?
The canonical SMILES for 2-(1H-indol-3-yl)-N-[3-[4-(4-methoxyphenyl)piperazin-1-yl]propyl]-2-oxoacetamide is COc1ccc(N2CCN(CCCNC(=O)C(=O)c3c[nH]c4ccccc34)CC2)cc1.
What is the InChIKey of 2-(1H-indol-3-yl)-N-[3-[4-(4-methoxyphenyl)piperazin-1-yl]propyl]-2-oxoacetamide?
The InChIKey is ADFVWRXTQPTXFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N4O3/c1-31-19-9-7-18(8-10-19)28-15-13-27(14-16-28)12-4-11-25-24(30)23(29)21-17-26-22-6-3-2-5-20(21)22/h2-3,5-10,17,26H,4,11-16H2,1H3,(H,25,30).
What are the key properties of 2-(1H-indol-3-yl)-N-[3-[4-(4-methoxyphenyl)piperazin-1-yl]propyl]-2-oxoacetamide?
2-(1H-indol-3-yl)-N-[3-[4-(4-methoxyphenyl)piperazin-1-yl]propyl]-2-oxoacetamide has a molecular weight of 420.51 g/mol, XLogP of 2.69, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-indol-3-yl)-N-[3-[4-(4-methoxyphenyl)piperazin-1-yl]propyl]-2-oxoacetamide is sourced from PubChem (CID 7087103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).