ethyl 2-[[2-oxo-2-[1-(2-oxo-2-piperidin-1-ylethyl)indol-3-yl]acetyl]amino]acetate

C21H25N3O5 — CID 7162391

IUPACethyl 2-[[2-oxo-2-[1-(2-oxo-2-piperidin-1-ylethyl)indol-3-yl]acetyl]amino]acetate
SMILESCCOC(=O)CNC(=O)C(=O)c1cn(CC(=O)N2CCCCC2)c2ccccc12
InChIInChI=1S/C21H25N3O5/c1-2-29-19(26)12-22-21(28)20(27)16-13-24(17-9-5-4-8-15(16)17)14-18(25)23-10-6-3-7-11-23/h4-5,8-9,13H,2-3,6-7,10-12,14H2,1H3,(H,22,28)
InChIKeyNIPRQMDZAXPYBJ-UHFFFAOYSA-N
MW399.45 g/mol
LogP1.52
Rot. Bonds7

About ethyl 2-[[2-oxo-2-[1-(2-oxo-2-piperidin-1-ylethyl)indol-3-yl]acetyl]amino]acetate

ethyl 2-[[2-oxo-2-[1-(2-oxo-2-piperidin-1-ylethyl)indol-3-yl]acetyl]amino]acetate (PubChem CID 7162391) has the molecular formula C21H25N3O5 and a molecular weight of 399.45 g/mol. Its IUPAC name is ethyl 2-[[2-oxo-2-[1-(2-oxo-2-piperidin-1-ylethyl)indol-3-yl]acetyl]amino]acetate.

Molecular Properties

Compound Nameethyl 2-[[2-oxo-2-[1-(2-oxo-2-piperidin-1-ylethyl)indol-3-yl]acetyl]amino]acetate
PubChem CID7162391
Molecular FormulaC21H25N3O5
Molecular Weight399.45 g/mol
Exact Mass399.18
IUPAC Nameethyl 2-[[2-oxo-2-[1-(2-oxo-2-piperidin-1-ylethyl)indol-3-yl]acetyl]amino]acetate
SMILESCCOC(=O)CNC(=O)C(=O)c1cn(CC(=O)N2CCCCC2)c2ccccc12
InChIInChI=1S/C21H25N3O5/c1-2-29-19(26)12-22-21(28)20(27)16-13-24(17-9-5-4-8-15(16)17)14-18(25)23-10-6-3-7-11-23/h4-5,8-9,13H,2-3,6-7,10-12,14H2,1H3,(H,22,28)
InChIKeyNIPRQMDZAXPYBJ-UHFFFAOYSA-N
XLogP1.52
TPSA97.71 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.45
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-[3-(diethylamino)propyl]-2-oxo-2-[1-(2-oxo-2-piperidin-1-ylethyl)indol-3-yl]acetamide
CID 7162399
2-[1-[2-(azepan-1-yl)-2-oxoethyl]indol-3-yl]-N-[(1-ethylpyrrolidin-2-yl)methyl]-2-oxoacetamide
CID 16808144
2-[1-[2-(azepan-1-yl)-2-oxoethyl]indol-3-yl]-2-oxo-N-(thiophen-2-ylmethyl)acetamide
CID 18562402
N-[3-(dipropylamino)propyl]-2-oxo-2-[1-(2-oxo-2-pyrrolidin-1-ylethyl)indol-3-yl]acetamide
CID 41429586
N-(2-ethylphenyl)-2-oxo-2-[1-(2-oxo-2-pyrrolidin-1-ylethyl)indol-3-yl]acetamide
CID 4535551
2-[1-[2-(azepan-1-yl)-2-oxoethyl]indol-3-yl]-N-(3-methylphenyl)-2-oxoacetamide
CID 40506678
N,N-diethyl-2-oxo-2-[1-(2-oxo-2-piperidin-1-ylethyl)indol-3-yl]acetamide
CID 7066716
N-(3,3-diphenylpropyl)-2-oxo-2-[1-(2-oxo-2-pyrrolidin-1-ylethyl)indol-3-yl]acetamide
CID 16808104
1-[2-(azepan-1-yl)-2-oxoethyl]indole-3-carboxylic acid
CID 43825868
methyl 4-[[2-oxo-2-[1-(2-oxo-2-piperidin-1-ylethyl)indol-3-yl]acetyl]amino]benzoate
CID 3626932
2,2-dimethyl-1-[1-(2-oxo-2-piperidin-1-ylethyl)indol-3-yl]propan-1-one
CID 1095445
2-[1-[2-(azepan-1-yl)-2-oxoethyl]indol-3-yl]-N-(4-fluorophenyl)-2-oxoacetamide
CID 40506681

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[2-oxo-2-[1-(2-oxo-2-piperidin-1-ylethyl)indol-3-yl]acetyl]amino]acetate?
The IUPAC name of ethyl 2-[[2-oxo-2-[1-(2-oxo-2-piperidin-1-ylethyl)indol-3-yl]acetyl]amino]acetate (CID 7162391) is ethyl 2-[[2-oxo-2-[1-(2-oxo-2-piperidin-1-ylethyl)indol-3-yl]acetyl]amino]acetate.
What is the SMILES notation for ethyl 2-[[2-oxo-2-[1-(2-oxo-2-piperidin-1-ylethyl)indol-3-yl]acetyl]amino]acetate?
The canonical SMILES for ethyl 2-[[2-oxo-2-[1-(2-oxo-2-piperidin-1-ylethyl)indol-3-yl]acetyl]amino]acetate is CCOC(=O)CNC(=O)C(=O)c1cn(CC(=O)N2CCCCC2)c2ccccc12.
What is the InChIKey of ethyl 2-[[2-oxo-2-[1-(2-oxo-2-piperidin-1-ylethyl)indol-3-yl]acetyl]amino]acetate?
The InChIKey is NIPRQMDZAXPYBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O5/c1-2-29-19(26)12-22-21(28)20(27)16-13-24(17-9-5-4-8-15(16)17)14-18(25)23-10-6-3-7-11-23/h4-5,8-9,13H,2-3,6-7,10-12,14H2,1H3,(H,22,28).
What are the key properties of ethyl 2-[[2-oxo-2-[1-(2-oxo-2-piperidin-1-ylethyl)indol-3-yl]acetyl]amino]acetate?
ethyl 2-[[2-oxo-2-[1-(2-oxo-2-piperidin-1-ylethyl)indol-3-yl]acetyl]amino]acetate has a molecular weight of 399.45 g/mol, XLogP of 1.52, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[2-oxo-2-[1-(2-oxo-2-piperidin-1-ylethyl)indol-3-yl]acetyl]amino]acetate is sourced from PubChem (CID 7162391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).