2-(1H-indol-3-yl)-1-[4-[2-(N-methylanilino)benzoyl]piperazin-1-yl]ethanone

C28H28N4O2 — CID 55810442

IUPAC2-(1H-indol-3-yl)-1-[4-[2-(N-methylanilino)benzoyl]piperazin-1-yl]ethanone
SMILESCN(c1ccccc1)c1ccccc1C(=O)N1CCN(C(=O)Cc2c[nH]c3ccccc23)CC1
InChIInChI=1S/C28H28N4O2/c1-30(22-9-3-2-4-10-22)26-14-8-6-12-24(26)28(34)32-17-15-31(16-18-32)27(33)19-21-20-29-25-13-7-5-11-23(21)25/h2-14,20,29H,15-19H2,1H3
InChIKeyHVGUSSMOHLUBEN-UHFFFAOYSA-N
MW452.56 g/mol
LogP4.46
Rot. Bonds5

About 2-(1H-indol-3-yl)-1-[4-[2-(N-methylanilino)benzoyl]piperazin-1-yl]ethanone

2-(1H-indol-3-yl)-1-[4-[2-(N-methylanilino)benzoyl]piperazin-1-yl]ethanone (PubChem CID 55810442) has the molecular formula C28H28N4O2 and a molecular weight of 452.56 g/mol. Its IUPAC name is 2-(1H-indol-3-yl)-1-[4-[2-(N-methylanilino)benzoyl]piperazin-1-yl]ethanone.

Molecular Properties

Compound Name2-(1H-indol-3-yl)-1-[4-[2-(N-methylanilino)benzoyl]piperazin-1-yl]ethanone
PubChem CID55810442
Molecular FormulaC28H28N4O2
Molecular Weight452.56 g/mol
Exact Mass452.22
IUPAC Name2-(1H-indol-3-yl)-1-[4-[2-(N-methylanilino)benzoyl]piperazin-1-yl]ethanone
SMILESCN(c1ccccc1)c1ccccc1C(=O)N1CCN(C(=O)Cc2c[nH]c3ccccc23)CC1
InChIInChI=1S/C28H28N4O2/c1-30(22-9-3-2-4-10-22)26-14-8-6-12-24(26)28(34)32-17-15-31(16-18-32)27(33)19-21-20-29-25-13-7-5-11-23(21)25/h2-14,20,29H,15-19H2,1H3
InChIKeyHVGUSSMOHLUBEN-UHFFFAOYSA-N
XLogP4.46
TPSA59.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.56
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-[2-(1H-indol-3-yl)acetyl]piperazin-1-yl]-N,N-dimethylacetamide
CID 78793992
1-[4-[4-(dimethylamino)phenyl]piperazin-1-yl]-2-(1H-indol-3-yl)ethanone
CID 113078739
1-[4-[2-(1H-indol-3-yl)acetyl]piperazin-1-yl]-2-methylpropan-1-one
CID 18159897
2-(1H-indol-3-yl)-1-[4-(5-phenyl-1H-pyrazole-4-carbonyl)piperazin-1-yl]ethanone
CID 55932242
1-[4-(4-ethylbenzoyl)piperazin-1-yl]-2-(1H-indol-3-yl)ethanone
CID 32770411
N,N-diethyl-2-[4-[2-(1H-indol-3-yl)acetyl]piperazin-1-yl]acetamide
CID 51263125
1-[2-(1H-indol-3-yl)acetyl]piperidin-4-one
CID 28753763
1-[4-[2-(2,6-dimethylphenoxy)acetyl]piperazin-1-yl]-2-(1H-indol-3-yl)ethanone
CID 55810341
2-(1H-indol-3-yl)-1-[4-[2-(1H-indol-3-yl)ethyl]piperazin-1-yl]ethanone
CID 110412445
2-(1H-indol-3-yl)-1-[4-(pyridine-2-carbonyl)-1,4-diazepan-1-yl]ethanone
CID 110815945
1-[4-(2-bromobenzoyl)piperazin-1-yl]-3-(1H-indol-3-yl)propan-1-one
CID 42534114
2-(1H-indol-3-yl)-1-[4-(3-phenyl-2-sulfanylidene-1H-imidazole-4-carbonyl)piperazin-1-yl]ethanone
CID 55860738

Frequently Asked Questions

What is the IUPAC name of 2-(1H-indol-3-yl)-1-[4-[2-(N-methylanilino)benzoyl]piperazin-1-yl]ethanone?
The IUPAC name of 2-(1H-indol-3-yl)-1-[4-[2-(N-methylanilino)benzoyl]piperazin-1-yl]ethanone (CID 55810442) is 2-(1H-indol-3-yl)-1-[4-[2-(N-methylanilino)benzoyl]piperazin-1-yl]ethanone.
What is the SMILES notation for 2-(1H-indol-3-yl)-1-[4-[2-(N-methylanilino)benzoyl]piperazin-1-yl]ethanone?
The canonical SMILES for 2-(1H-indol-3-yl)-1-[4-[2-(N-methylanilino)benzoyl]piperazin-1-yl]ethanone is CN(c1ccccc1)c1ccccc1C(=O)N1CCN(C(=O)Cc2c[nH]c3ccccc23)CC1.
What is the InChIKey of 2-(1H-indol-3-yl)-1-[4-[2-(N-methylanilino)benzoyl]piperazin-1-yl]ethanone?
The InChIKey is HVGUSSMOHLUBEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H28N4O2/c1-30(22-9-3-2-4-10-22)26-14-8-6-12-24(26)28(34)32-17-15-31(16-18-32)27(33)19-21-20-29-25-13-7-5-11-23(21)25/h2-14,20,29H,15-19H2,1H3.
What are the key properties of 2-(1H-indol-3-yl)-1-[4-[2-(N-methylanilino)benzoyl]piperazin-1-yl]ethanone?
2-(1H-indol-3-yl)-1-[4-[2-(N-methylanilino)benzoyl]piperazin-1-yl]ethanone has a molecular weight of 452.56 g/mol, XLogP of 4.46, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-indol-3-yl)-1-[4-[2-(N-methylanilino)benzoyl]piperazin-1-yl]ethanone is sourced from PubChem (CID 55810442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).