2-[4-(1H-indole-2-carbonyl)piperazin-1-yl]-N-(3-methoxyphenyl)-2-oxoacetamide

C22H22N4O4 — CID 71946896

IUPAC2-[4-(1H-indole-2-carbonyl)piperazin-1-yl]-N-(3-methoxyphenyl)-2-oxoacetamide
SMILESCOc1cccc(NC(=O)C(=O)N2CCN(C(=O)c3cc4ccccc4[nH]3)CC2)c1
InChIInChI=1S/C22H22N4O4/c1-30-17-7-4-6-16(14-17)23-20(27)22(29)26-11-9-25(10-12-26)21(28)19-13-15-5-2-3-8-18(15)24-19/h2-8,13-14,24H,9-12H2,1H3,(H,23,27)
InChIKeyNNMNZLPSWREKJG-UHFFFAOYSA-N
MW406.44 g/mol
LogP2.10
Rot. Bonds3

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

2-[4-(1H-indole-2-carbonyl)piperazin-1-yl]-N-(3-methoxyphenyl)-2-oxoacetamide (PubChem CID 71946896) has the molecular formula C22H22N4O4 and a molecular weight of 406.44 g/mol. Its IUPAC name is 2-[4-(1H-indole-2-carbonyl)piperazin-1-yl]-N-(3-methoxyphenyl)-2-oxoacetamide.

Molecular Properties

Compound Name2-[4-(1H-indole-2-carbonyl)piperazin-1-yl]-N-(3-methoxyphenyl)-2-oxoacetamide
PubChem CID71946896
Molecular FormulaC22H22N4O4
Molecular Weight406.44 g/mol
Exact Mass406.16
IUPAC Name2-[4-(1H-indole-2-carbonyl)piperazin-1-yl]-N-(3-methoxyphenyl)-2-oxoacetamide
SMILESCOc1cccc(NC(=O)C(=O)N2CCN(C(=O)c3cc4ccccc4[nH]3)CC2)c1
InChIInChI=1S/C22H22N4O4/c1-30-17-7-4-6-16(14-17)23-20(27)22(29)26-11-9-25(10-12-26)21(28)19-13-15-5-2-3-8-18(15)24-19/h2-8,13-14,24H,9-12H2,1H3,(H,23,27)
InChIKeyNNMNZLPSWREKJG-UHFFFAOYSA-N
XLogP2.10
TPSA94.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.44
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[4-(1H-indole-2-carbonyl)piperazin-1-yl]-N-[(4-methoxyphenyl)methyl]-2-oxoacetamide
CID 29129307
N-tert-butyl-2-[4-(1H-indole-2-carbonyl)piperazin-1-yl]-2-oxoacetamide
CID 155255167
1-(1H-indole-2-carbonyl)-4-[(4-methoxyphenyl)methyl]-1,4-diazepan-5-one
CID 42467254
2-[4-(1H-indole-2-carbonyl)piperazin-1-yl]-N-(3-methylbutyl)-2-oxoacetamide
CID 29130725
1H-indol-2-yl-(4-methylpiperazin-1-yl)methanone;hydrochloride
CID 134120748
2-[4-(1H-indole-2-carbonyl)piperazin-1-yl]-2-oxo-N-(2-phenylethyl)acetamide
CID 29134828
4-(1H-indole-2-carbonyl)-N,N-dimethylpiperazine-1-carboxamide
CID 34224299
N-[(1S,2S)-2-hydroxycyclohexyl]-2-[4-(1H-indole-2-carbonyl)piperazin-1-yl]-2-oxoacetamide
CID 155255114
1-[4-(1H-indole-2-carbonyl)piperazin-1-yl]-2-(3-methylphenoxy)ethanone
CID 53001326
N-(1-anilino-1-oxopropan-2-yl)-4-(1H-indole-2-carbonyl)piperazine-1-carboxamide
CID 73402295
N-(3-acetamidophenyl)-2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoacetamide
CID 44902805
[4-(2,2-dimethoxyethyl)piperazin-1-yl]-(1H-indol-2-yl)methanone
CID 167764803

Frequently Asked Questions

What is the IUPAC name of 2-[4-(1H-indole-2-carbonyl)piperazin-1-yl]-N-(3-methoxyphenyl)-2-oxoacetamide?
The IUPAC name of 2-[4-(1H-indole-2-carbonyl)piperazin-1-yl]-N-(3-methoxyphenyl)-2-oxoacetamide (CID 71946896) is 2-[4-(1H-indole-2-carbonyl)piperazin-1-yl]-N-(3-methoxyphenyl)-2-oxoacetamide.
What is the SMILES notation for 2-[4-(1H-indole-2-carbonyl)piperazin-1-yl]-N-(3-methoxyphenyl)-2-oxoacetamide?
The canonical SMILES for 2-[4-(1H-indole-2-carbonyl)piperazin-1-yl]-N-(3-methoxyphenyl)-2-oxoacetamide is COc1cccc(NC(=O)C(=O)N2CCN(C(=O)c3cc4ccccc4[nH]3)CC2)c1.
What is the InChIKey of 2-[4-(1H-indole-2-carbonyl)piperazin-1-yl]-N-(3-methoxyphenyl)-2-oxoacetamide?
The InChIKey is NNMNZLPSWREKJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N4O4/c1-30-17-7-4-6-16(14-17)23-20(27)22(29)26-11-9-25(10-12-26)21(28)19-13-15-5-2-3-8-18(15)24-19/h2-8,13-14,24H,9-12H2,1H3,(H,23,27).
What are the key properties of 2-[4-(1H-indole-2-carbonyl)piperazin-1-yl]-N-(3-methoxyphenyl)-2-oxoacetamide?
2-[4-(1H-indole-2-carbonyl)piperazin-1-yl]-N-(3-methoxyphenyl)-2-oxoacetamide has a molecular weight of 406.44 g/mol, XLogP of 2.10, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(1H-indole-2-carbonyl)piperazin-1-yl]-N-(3-methoxyphenyl)-2-oxoacetamide is sourced from PubChem (CID 71946896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).