2-(4-formylpiperazin-1-yl)-N-(1H-indol-4-yl)-2-oxoacetamide

C15H16N4O3 — CID 45495018

IUPAC2-(4-formylpiperazin-1-yl)-N-(1H-indol-4-yl)-2-oxoacetamide
SMILESO=CN1CCN(C(=O)C(=O)Nc2cccc3[nH]ccc23)CC1
InChIInChI=1S/C15H16N4O3/c20-10-18-6-8-19(9-7-18)15(22)14(21)17-13-3-1-2-12-11(13)4-5-16-12/h1-5,10,16H,6-9H2,(H,17,21)
InChIKeyBILKDEGFCIUJIA-UHFFFAOYSA-N
MW300.32 g/mol
LogP0.41
Rot. Bonds2

About 2-(4-formylpiperazin-1-yl)-N-(1H-indol-4-yl)-2-oxoacetamide

2-(4-formylpiperazin-1-yl)-N-(1H-indol-4-yl)-2-oxoacetamide (PubChem CID 45495018) has the molecular formula C15H16N4O3 and a molecular weight of 300.32 g/mol. Its IUPAC name is 2-(4-formylpiperazin-1-yl)-N-(1H-indol-4-yl)-2-oxoacetamide.

Molecular Properties

Compound Name2-(4-formylpiperazin-1-yl)-N-(1H-indol-4-yl)-2-oxoacetamide
PubChem CID45495018
Molecular FormulaC15H16N4O3
Molecular Weight300.32 g/mol
Exact Mass300.12
IUPAC Name2-(4-formylpiperazin-1-yl)-N-(1H-indol-4-yl)-2-oxoacetamide
SMILESO=CN1CCN(C(=O)C(=O)Nc2cccc3[nH]ccc23)CC1
InChIInChI=1S/C15H16N4O3/c20-10-18-6-8-19(9-7-18)15(22)14(21)17-13-3-1-2-12-11(13)4-5-16-12/h1-5,10,16H,6-9H2,(H,17,21)
InChIKeyBILKDEGFCIUJIA-UHFFFAOYSA-N
XLogP0.41
TPSA85.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.32
LogP ≤ 50.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(1H-indol-4-yl)-2-oxo-2-piperidin-1-ylacetamide
CID 45493554
2-amino-N-(1H-indol-4-yl)acetamide
CID 110470011
4-formyl-N-naphthalen-1-ylpiperazine-1-carboxamide
CID 3736870
2-(4-formylpiperazin-1-yl)-N-(3-methylphenyl)-2-oxoacetamide
CID 108515716
N-(1H-indol-4-yl)-3-methylpiperazine-1-carboxamide
CID 121452523
N-(1H-indol-4-yl)-2,2-dimethylpropanamide
CID 110730904
2,2,2-trifluoro-N-(1H-indol-4-yl)acetamide
CID 110470939
fluoro N-(1H-indol-4-yl)carbamate
CID 174803649
cis-(1S,2R)-N-(1H-indol-4-yl)-2-(pyrrolidine-1-carbonyl)cyclohexane-1-carboxamide
CID 95767235
N-(1H-indol-4-yl)-2-oxo-2-[(2R)-2-(1H-pyrazol-4-yl)piperidin-1-yl]acetamide
CID 99789613
N-(1H-indol-4-yl)-2-(2-phenylethylamino)acetamide
CID 141013500
N-(2-hydroxyphenyl)-2-oxo-2-piperidin-1-ylacetamide
CID 108514226

Frequently Asked Questions

What is the IUPAC name of 2-(4-formylpiperazin-1-yl)-N-(1H-indol-4-yl)-2-oxoacetamide?
The IUPAC name of 2-(4-formylpiperazin-1-yl)-N-(1H-indol-4-yl)-2-oxoacetamide (CID 45495018) is 2-(4-formylpiperazin-1-yl)-N-(1H-indol-4-yl)-2-oxoacetamide.
What is the SMILES notation for 2-(4-formylpiperazin-1-yl)-N-(1H-indol-4-yl)-2-oxoacetamide?
The canonical SMILES for 2-(4-formylpiperazin-1-yl)-N-(1H-indol-4-yl)-2-oxoacetamide is O=CN1CCN(C(=O)C(=O)Nc2cccc3[nH]ccc23)CC1.
What is the InChIKey of 2-(4-formylpiperazin-1-yl)-N-(1H-indol-4-yl)-2-oxoacetamide?
The InChIKey is BILKDEGFCIUJIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4O3/c20-10-18-6-8-19(9-7-18)15(22)14(21)17-13-3-1-2-12-11(13)4-5-16-12/h1-5,10,16H,6-9H2,(H,17,21).
What are the key properties of 2-(4-formylpiperazin-1-yl)-N-(1H-indol-4-yl)-2-oxoacetamide?
2-(4-formylpiperazin-1-yl)-N-(1H-indol-4-yl)-2-oxoacetamide has a molecular weight of 300.32 g/mol, XLogP of 0.41, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-formylpiperazin-1-yl)-N-(1H-indol-4-yl)-2-oxoacetamide is sourced from PubChem (CID 45495018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).