1-[4-(4-ethylbenzoyl)piperazin-1-yl]-2-(1H-indol-3-yl)ethanone

C23H25N3O2 — CID 32770411

IUPAC1-[4-(4-ethylbenzoyl)piperazin-1-yl]-2-(1H-indol-3-yl)ethanone
SMILESCCc1ccc(C(=O)N2CCN(C(=O)Cc3c[nH]c4ccccc34)CC2)cc1
InChIInChI=1S/C23H25N3O2/c1-2-17-7-9-18(10-8-17)23(28)26-13-11-25(12-14-26)22(27)15-19-16-24-21-6-4-3-5-20(19)21/h3-10,16,24H,2,11-15H2,1H3
InChIKeyVASALZXULLZHEY-UHFFFAOYSA-N
MW375.47 g/mol
LogP3.26
Rot. Bonds4

About 1-[4-(4-ethylbenzoyl)piperazin-1-yl]-2-(1H-indol-3-yl)ethanone

1-[4-(4-ethylbenzoyl)piperazin-1-yl]-2-(1H-indol-3-yl)ethanone (PubChem CID 32770411) has the molecular formula C23H25N3O2 and a molecular weight of 375.47 g/mol. Its IUPAC name is 1-[4-(4-ethylbenzoyl)piperazin-1-yl]-2-(1H-indol-3-yl)ethanone.

Molecular Properties

Compound Name1-[4-(4-ethylbenzoyl)piperazin-1-yl]-2-(1H-indol-3-yl)ethanone
PubChem CID32770411
Molecular FormulaC23H25N3O2
Molecular Weight375.47 g/mol
Exact Mass375.19
IUPAC Name1-[4-(4-ethylbenzoyl)piperazin-1-yl]-2-(1H-indol-3-yl)ethanone
SMILESCCc1ccc(C(=O)N2CCN(C(=O)Cc3c[nH]c4ccccc34)CC2)cc1
InChIInChI=1S/C23H25N3O2/c1-2-17-7-9-18(10-8-17)23(28)26-13-11-25(12-14-26)22(27)15-19-16-24-21-6-4-3-5-20(19)21/h3-10,16,24H,2,11-15H2,1H3
InChIKeyVASALZXULLZHEY-UHFFFAOYSA-N
XLogP3.26
TPSA56.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.47
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[4-[2-(4-ethylphenyl)-4-methyl-1,3-thiazole-5-carbonyl]piperazin-1-yl]-2-(1H-indol-3-yl)ethanone
CID 60526171
N-[1-[4-(4-ethylbenzoyl)piperazin-1-yl]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]acetamide
CID 55586725
1-[4-[4-[2-(1H-indol-3-yl)acetyl]piperazine-1-carbonyl]phenyl]-3-propan-2-ylurea
CID 55932362
1-[4-[2-(1H-indol-3-yl)acetyl]piperazin-1-yl]-2-methylpropan-1-one
CID 18159897
4-[2-[4-[2-(1H-indol-3-yl)acetyl]piperazin-1-yl]-2-oxoethyl]benzenesulfonamide
CID 56511461
2-(1,2-benzoxazol-3-yl)-1-[4-(4-ethylbenzoyl)piperazin-1-yl]ethanone
CID 33168189
1-[2-(1H-indol-3-yl)acetyl]piperidin-4-one
CID 28753763
2-(1H-indol-3-yl)-1-[4-(4-propylphenyl)sulfonylpiperazin-1-yl]ethanone
CID 112765357
2-(1H-indol-3-yl)-1-[4-[2-(1H-indol-3-yl)ethyl]piperazin-1-yl]ethanone
CID 110412445
N,N-diethyl-2-[4-[2-(1H-indol-3-yl)acetyl]piperazin-1-yl]acetamide
CID 51263125
2-(1H-indol-3-yl)-1-[4-(pyridine-2-carbonyl)-1,4-diazepan-1-yl]ethanone
CID 110815945
2-[4-[2-(1H-indol-3-yl)acetyl]piperazin-1-yl]-N,N-dimethylacetamide
CID 78793992

Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-ethylbenzoyl)piperazin-1-yl]-2-(1H-indol-3-yl)ethanone?
The IUPAC name of 1-[4-(4-ethylbenzoyl)piperazin-1-yl]-2-(1H-indol-3-yl)ethanone (CID 32770411) is 1-[4-(4-ethylbenzoyl)piperazin-1-yl]-2-(1H-indol-3-yl)ethanone.
What is the SMILES notation for 1-[4-(4-ethylbenzoyl)piperazin-1-yl]-2-(1H-indol-3-yl)ethanone?
The canonical SMILES for 1-[4-(4-ethylbenzoyl)piperazin-1-yl]-2-(1H-indol-3-yl)ethanone is CCc1ccc(C(=O)N2CCN(C(=O)Cc3c[nH]c4ccccc34)CC2)cc1.
What is the InChIKey of 1-[4-(4-ethylbenzoyl)piperazin-1-yl]-2-(1H-indol-3-yl)ethanone?
The InChIKey is VASALZXULLZHEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O2/c1-2-17-7-9-18(10-8-17)23(28)26-13-11-25(12-14-26)22(27)15-19-16-24-21-6-4-3-5-20(19)21/h3-10,16,24H,2,11-15H2,1H3.
What are the key properties of 1-[4-(4-ethylbenzoyl)piperazin-1-yl]-2-(1H-indol-3-yl)ethanone?
1-[4-(4-ethylbenzoyl)piperazin-1-yl]-2-(1H-indol-3-yl)ethanone has a molecular weight of 375.47 g/mol, XLogP of 3.26, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-ethylbenzoyl)piperazin-1-yl]-2-(1H-indol-3-yl)ethanone is sourced from PubChem (CID 32770411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).