2-(5-methoxy-1H-indol-3-yl)-N-[4-(4-methylpiperazin-1-yl)phenyl]-2-oxoacetamide

C22H24N4O3 — CID 113208505

IUPAC2-(5-methoxy-1H-indol-3-yl)-N-[4-(4-methylpiperazin-1-yl)phenyl]-2-oxoacetamide
SMILESCOc1ccc2[nH]cc(C(=O)C(=O)Nc3ccc(N4CCN(C)CC4)cc3)c2c1
InChIInChI=1S/C22H24N4O3/c1-25-9-11-26(12-10-25)16-5-3-15(4-6-16)24-22(28)21(27)19-14-23-20-8-7-17(29-2)13-18(19)20/h3-8,13-14,23H,9-12H2,1-2H3,(H,24,28)
InChIKeyZSKYBGWQVPNCIV-UHFFFAOYSA-N
MW392.46 g/mol
LogP2.75
Rot. Bonds5

About 2-(5-methoxy-1H-indol-3-yl)-N-[4-(4-methylpiperazin-1-yl)phenyl]-2-oxoacetamide

2-(5-methoxy-1H-indol-3-yl)-N-[4-(4-methylpiperazin-1-yl)phenyl]-2-oxoacetamide (PubChem CID 113208505) has the molecular formula C22H24N4O3 and a molecular weight of 392.46 g/mol. Its IUPAC name is 2-(5-methoxy-1H-indol-3-yl)-N-[4-(4-methylpiperazin-1-yl)phenyl]-2-oxoacetamide.

Molecular Properties

Compound Name2-(5-methoxy-1H-indol-3-yl)-N-[4-(4-methylpiperazin-1-yl)phenyl]-2-oxoacetamide
PubChem CID113208505
Molecular FormulaC22H24N4O3
Molecular Weight392.46 g/mol
Exact Mass392.18
IUPAC Name2-(5-methoxy-1H-indol-3-yl)-N-[4-(4-methylpiperazin-1-yl)phenyl]-2-oxoacetamide
SMILESCOc1ccc2[nH]cc(C(=O)C(=O)Nc3ccc(N4CCN(C)CC4)cc3)c2c1
InChIInChI=1S/C22H24N4O3/c1-25-9-11-26(12-10-25)16-5-3-15(4-6-16)24-22(28)21(27)19-14-23-20-8-7-17(29-2)13-18(19)20/h3-8,13-14,23H,9-12H2,1-2H3,(H,24,28)
InChIKeyZSKYBGWQVPNCIV-UHFFFAOYSA-N
XLogP2.75
TPSA77.67 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.46
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(5-methoxy-1H-indol-3-yl)-[4-(4-methoxyphenyl)piperazin-1-yl]methanone
CID 113206035
N-(2,6-diethylphenyl)-2-(5-methoxy-1H-indol-3-yl)-2-oxoacetamide
CID 113208457
5-methoxy-N-(4-methylphenyl)-1H-indole-3-carboxamide
CID 113206039
2-(5-methoxy-1H-indol-3-yl)-N-(2-methylphenyl)-2-oxoacetamide
CID 113208438
2-(6-chloro-1H-indol-3-yl)-2-oxo-N-(4-pyrrolidin-1-ylphenyl)acetamide
CID 113208869
1-(3-methoxyphenyl)-3-[4-(4-methylpiperazin-1-yl)phenyl]urea
CID 48740743
N-(4-chlorophenyl)-5-methoxy-1H-indole-3-carboxamide
CID 113206063
N-(2-ethylphenyl)-2-(5-methoxy-1H-indol-3-yl)-2-oxoacetamide
CID 113208450
2-(2,5-dimethoxyphenyl)-N-[4-(4-methylpiperazin-1-yl)phenyl]acetamide
CID 78807074
tert-butyl 5-(4-methylpiperazin-1-yl)-1H-indole-3-carboxylate
CID 174611063
2-(5-methoxy-1H-indol-3-yl)-2-oxoacetamide
CID 44719462
N-(4-methoxyphenyl)-2-[4-(4-methylpiperazin-1-yl)anilino]acetamide
CID 109009137

Frequently Asked Questions

What is the IUPAC name of 2-(5-methoxy-1H-indol-3-yl)-N-[4-(4-methylpiperazin-1-yl)phenyl]-2-oxoacetamide?
The IUPAC name of 2-(5-methoxy-1H-indol-3-yl)-N-[4-(4-methylpiperazin-1-yl)phenyl]-2-oxoacetamide (CID 113208505) is 2-(5-methoxy-1H-indol-3-yl)-N-[4-(4-methylpiperazin-1-yl)phenyl]-2-oxoacetamide.
What is the SMILES notation for 2-(5-methoxy-1H-indol-3-yl)-N-[4-(4-methylpiperazin-1-yl)phenyl]-2-oxoacetamide?
The canonical SMILES for 2-(5-methoxy-1H-indol-3-yl)-N-[4-(4-methylpiperazin-1-yl)phenyl]-2-oxoacetamide is COc1ccc2[nH]cc(C(=O)C(=O)Nc3ccc(N4CCN(C)CC4)cc3)c2c1.
What is the InChIKey of 2-(5-methoxy-1H-indol-3-yl)-N-[4-(4-methylpiperazin-1-yl)phenyl]-2-oxoacetamide?
The InChIKey is ZSKYBGWQVPNCIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O3/c1-25-9-11-26(12-10-25)16-5-3-15(4-6-16)24-22(28)21(27)19-14-23-20-8-7-17(29-2)13-18(19)20/h3-8,13-14,23H,9-12H2,1-2H3,(H,24,28).
What are the key properties of 2-(5-methoxy-1H-indol-3-yl)-N-[4-(4-methylpiperazin-1-yl)phenyl]-2-oxoacetamide?
2-(5-methoxy-1H-indol-3-yl)-N-[4-(4-methylpiperazin-1-yl)phenyl]-2-oxoacetamide has a molecular weight of 392.46 g/mol, XLogP of 2.75, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-methoxy-1H-indol-3-yl)-N-[4-(4-methylpiperazin-1-yl)phenyl]-2-oxoacetamide is sourced from PubChem (CID 113208505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).