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

C23H26N4O3 — CID 108530712

IUPACN-[2-(1H-indol-3-yl)ethyl]-2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoacetamide
SMILESCOc1ccccc1N1CCN(C(=O)C(=O)NCCc2c[nH]c3ccccc23)CC1
InChIInChI=1S/C23H26N4O3/c1-30-21-9-5-4-8-20(21)26-12-14-27(15-13-26)23(29)22(28)24-11-10-17-16-25-19-7-3-2-6-18(17)19/h2-9,16,25H,10-15H2,1H3,(H,24,28)
InChIKeyJCXTYHMAVHZJIH-UHFFFAOYSA-N
MW406.49 g/mol
LogP2.18
Rot. Bonds5

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

N-[2-(1H-indol-3-yl)ethyl]-2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoacetamide (PubChem CID 108530712) has the molecular formula C23H26N4O3 and a molecular weight of 406.49 g/mol. Its IUPAC name is N-[2-(1H-indol-3-yl)ethyl]-2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoacetamide.

Molecular Properties

Compound NameN-[2-(1H-indol-3-yl)ethyl]-2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoacetamide
PubChem CID108530712
Molecular FormulaC23H26N4O3
Molecular Weight406.49 g/mol
Exact Mass406.20
IUPAC NameN-[2-(1H-indol-3-yl)ethyl]-2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoacetamide
SMILESCOc1ccccc1N1CCN(C(=O)C(=O)NCCc2c[nH]c3ccccc23)CC1
InChIInChI=1S/C23H26N4O3/c1-30-21-9-5-4-8-20(21)26-12-14-27(15-13-26)23(29)22(28)24-11-10-17-16-25-19-7-3-2-6-18(17)19/h2-9,16,25H,10-15H2,1H3,(H,24,28)
InChIKeyJCXTYHMAVHZJIH-UHFFFAOYSA-N
XLogP2.18
TPSA77.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.49
LogP ≤ 52.18
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

N-[2-(1H-indol-3-yl)ethyl]-4-(2-methoxyphenyl)piperazine-1-carboxamide
CID 55457795
N-[2-(1H-indol-3-yl)ethyl]-3-[4-(2-methoxyphenyl)piperazin-1-yl]propanamide
CID 174547931
2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-N-[2-(1H-indol-3-yl)ethyl]-2-oxoacetamide
CID 108532064
2-(4-acetylpiperazin-1-yl)-N-[2-(1H-indol-3-yl)ethyl]-2-oxoacetamide
CID 108508463
N-[2-(1H-indol-3-yl)ethyl]-2-oxo-2-(4-phenylpiperazin-1-yl)acetamide
CID 44892225
N-[2-(4-fluorophenyl)ethyl]-2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoacetamide
CID 108530710
N-[2-(1H-indol-3-yl)ethyl]-N'-[(1S,2R)-1-[4-(2-methoxyphenyl)piperazin-1-yl]-1-thiophen-2-ylpropan-2-yl]oxamide
CID 98209356
N-[2-(1H-indol-3-yl)ethyl]-N'-[(1S,2S)-1-[4-(2-methoxyphenyl)piperazin-1-yl]-1-thiophen-2-ylpropan-2-yl]oxamide
CID 98209355
N-[2-(1H-indol-3-yl)ethyl]-2-[4-(3-methylphenyl)piperazin-1-yl]-2-oxoacetamide
CID 108531709
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoacetamide
CID 108506291
N-(3-chloropropyl)-2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoacetamide
CID 108513767
N-[2-(1H-indol-3-yl)ethyl]-4-(4-methoxyphenyl)piperazine-1-carboxamide
CID 108989627

Frequently Asked Questions

What is the IUPAC name of N-[2-(1H-indol-3-yl)ethyl]-2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoacetamide?
The IUPAC name of N-[2-(1H-indol-3-yl)ethyl]-2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoacetamide (CID 108530712) is N-[2-(1H-indol-3-yl)ethyl]-2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoacetamide.
What is the SMILES notation for N-[2-(1H-indol-3-yl)ethyl]-2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoacetamide?
The canonical SMILES for N-[2-(1H-indol-3-yl)ethyl]-2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoacetamide is COc1ccccc1N1CCN(C(=O)C(=O)NCCc2c[nH]c3ccccc23)CC1.
What is the InChIKey of N-[2-(1H-indol-3-yl)ethyl]-2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoacetamide?
The InChIKey is JCXTYHMAVHZJIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O3/c1-30-21-9-5-4-8-20(21)26-12-14-27(15-13-26)23(29)22(28)24-11-10-17-16-25-19-7-3-2-6-18(17)19/h2-9,16,25H,10-15H2,1H3,(H,24,28).
What are the key properties of N-[2-(1H-indol-3-yl)ethyl]-2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoacetamide?
N-[2-(1H-indol-3-yl)ethyl]-2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoacetamide has a molecular weight of 406.49 g/mol, XLogP of 2.18, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1H-indol-3-yl)ethyl]-2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoacetamide is sourced from PubChem (CID 108530712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).