1-(4-acetylpiperazin-1-yl)-2-(2-methyl-1H-indol-3-yl)ethanone

C17H21N3O2 — CID 31858024

IUPAC1-(4-acetylpiperazin-1-yl)-2-(2-methyl-1H-indol-3-yl)ethanone
SMILESCC(=O)N1CCN(C(=O)Cc2c(C)[nH]c3ccccc23)CC1
InChIInChI=1S/C17H21N3O2/c1-12-15(14-5-3-4-6-16(14)18-12)11-17(22)20-9-7-19(8-10-20)13(2)21/h3-6,18H,7-11H2,1-2H3
InChIKeyIHNDGTFFYGXJBH-UHFFFAOYSA-N
MW299.37 g/mol
LogP1.71
Rot. Bonds2

About 1-(4-acetylpiperazin-1-yl)-2-(2-methyl-1H-indol-3-yl)ethanone

1-(4-acetylpiperazin-1-yl)-2-(2-methyl-1H-indol-3-yl)ethanone (PubChem CID 31858024) has the molecular formula C17H21N3O2 and a molecular weight of 299.37 g/mol. Its IUPAC name is 1-(4-acetylpiperazin-1-yl)-2-(2-methyl-1H-indol-3-yl)ethanone.

Molecular Properties

Compound Name1-(4-acetylpiperazin-1-yl)-2-(2-methyl-1H-indol-3-yl)ethanone
PubChem CID31858024
Molecular FormulaC17H21N3O2
Molecular Weight299.37 g/mol
Exact Mass299.16
IUPAC Name1-(4-acetylpiperazin-1-yl)-2-(2-methyl-1H-indol-3-yl)ethanone
SMILESCC(=O)N1CCN(C(=O)Cc2c(C)[nH]c3ccccc23)CC1
InChIInChI=1S/C17H21N3O2/c1-12-15(14-5-3-4-6-16(14)18-12)11-17(22)20-9-7-19(8-10-20)13(2)21/h3-6,18H,7-11H2,1-2H3
InChIKeyIHNDGTFFYGXJBH-UHFFFAOYSA-N
XLogP1.71
TPSA56.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Related Compounds

1-(azepan-1-yl)-2-(2-methyl-1H-indol-3-yl)ethanone
CID 31849728
ethyl 4-[2-(2-methyl-1H-indol-3-yl)acetyl]piperazine-1-carboxylate
CID 31899581
2-(2-methyl-1H-indol-3-yl)-1-(4-phenylpiperazin-1-yl)ethanone
CID 31853042
2-(2-methyl-1H-indol-3-yl)-1-(4-pyridin-4-ylpiperazin-1-yl)ethanone
CID 31955040
2-(2-methyl-1H-indol-3-yl)-1-[4-(1H-pyrrole-2-carbonyl)-1,4-diazepan-1-yl]ethanone
CID 110816958
2-(2-methyl-1H-indol-3-yl)-1-[4-(pyridin-4-ylmethyl)piperazin-1-yl]ethanone
CID 31987168
1-[4-(2-fluorobenzoyl)-1,4-diazepan-1-yl]-2-(2-methyl-1H-indol-3-yl)ethanone
CID 78852452
4-[2-(2-methyl-1H-indol-3-yl)acetyl]-N-propyl-1,4-diazepane-1-carboxamide
CID 110813868
1-(4-acetylpiperazin-1-yl)-2-(5-methoxy-2-methyl-1H-indol-3-yl)ethanone
CID 113212099
1-(3-hydroxy-3-methylpiperidin-1-yl)-2-(2-methyl-1H-indol-3-yl)ethanone
CID 115874683
1-(3-benzyl-5,6,8,9-tetrahydro-[1,2,4]triazolo[4,3-d][1,4]diazepin-7-yl)-2-(2-methyl-1H-indol-3-yl)ethanone
CID 42470877
N-[[2-(4-acetylpiperazin-1-yl)-3-pyridinyl]methyl]-2-(2-methyl-1H-indol-3-yl)acetamide
CID 42461962

Frequently Asked Questions

What is the IUPAC name of 1-(4-acetylpiperazin-1-yl)-2-(2-methyl-1H-indol-3-yl)ethanone?
The IUPAC name of 1-(4-acetylpiperazin-1-yl)-2-(2-methyl-1H-indol-3-yl)ethanone (CID 31858024) is 1-(4-acetylpiperazin-1-yl)-2-(2-methyl-1H-indol-3-yl)ethanone.
What is the SMILES notation for 1-(4-acetylpiperazin-1-yl)-2-(2-methyl-1H-indol-3-yl)ethanone?
The canonical SMILES for 1-(4-acetylpiperazin-1-yl)-2-(2-methyl-1H-indol-3-yl)ethanone is CC(=O)N1CCN(C(=O)Cc2c(C)[nH]c3ccccc23)CC1.
What is the InChIKey of 1-(4-acetylpiperazin-1-yl)-2-(2-methyl-1H-indol-3-yl)ethanone?
The InChIKey is IHNDGTFFYGXJBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O2/c1-12-15(14-5-3-4-6-16(14)18-12)11-17(22)20-9-7-19(8-10-20)13(2)21/h3-6,18H,7-11H2,1-2H3.
What are the key properties of 1-(4-acetylpiperazin-1-yl)-2-(2-methyl-1H-indol-3-yl)ethanone?
1-(4-acetylpiperazin-1-yl)-2-(2-methyl-1H-indol-3-yl)ethanone has a molecular weight of 299.37 g/mol, XLogP of 1.71, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-acetylpiperazin-1-yl)-2-(2-methyl-1H-indol-3-yl)ethanone is sourced from PubChem (CID 31858024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).