2-(4-methyl-1H-indol-3-yl)-1-piperazin-1-ylethanone

C15H19N3O — CID 110833761

IUPAC2-(4-methyl-1H-indol-3-yl)-1-piperazin-1-ylethanone
SMILESCc1cccc2[nH]cc(CC(=O)N3CCNCC3)c12
InChIInChI=1S/C15H19N3O/c1-11-3-2-4-13-15(11)12(10-17-13)9-14(19)18-7-5-16-6-8-18/h2-4,10,16-17H,5-9H2,1H3
InChIKeyFOEQOJRNTHTJSB-UHFFFAOYSA-N
MW257.34 g/mol
LogP1.45
Rot. Bonds2

About 2-(4-methyl-1H-indol-3-yl)-1-piperazin-1-ylethanone

2-(4-methyl-1H-indol-3-yl)-1-piperazin-1-ylethanone (PubChem CID 110833761) has the molecular formula C15H19N3O and a molecular weight of 257.34 g/mol. Its IUPAC name is 2-(4-methyl-1H-indol-3-yl)-1-piperazin-1-ylethanone.

Molecular Properties

Compound Name2-(4-methyl-1H-indol-3-yl)-1-piperazin-1-ylethanone
PubChem CID110833761
Molecular FormulaC15H19N3O
Molecular Weight257.34 g/mol
Exact Mass257.15
IUPAC Name2-(4-methyl-1H-indol-3-yl)-1-piperazin-1-ylethanone
SMILESCc1cccc2[nH]cc(CC(=O)N3CCNCC3)c12
InChIInChI=1S/C15H19N3O/c1-11-3-2-4-13-15(11)12(10-17-13)9-14(19)18-7-5-16-6-8-18/h2-4,10,16-17H,5-9H2,1H3
InChIKeyFOEQOJRNTHTJSB-UHFFFAOYSA-N
XLogP1.45
TPSA48.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.34
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-hydroxy-1-[2-(4-methyl-1H-indol-3-yl)acetyl]piperidine-4-carboxylic acid
CID 119251873
1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-(4-methyl-1H-indol-3-yl)ethanone
CID 110853564
(2S)-4-[2-(4-methyl-1H-indol-3-yl)acetyl]morpholine-2-carboxylic acid
CID 124697408
1-(4-methyl-1H-indol-3-yl)propan-2-one
CID 28806622
2-(4-methyl-1H-indol-3-yl)acetamide
CID 24905096
3-(2,6-dimethylphenyl)-1-piperazin-1-ylpropan-1-one
CID 110833337
2-(3-methyl-2-pyridinyl)-1-piperazin-1-ylethanone
CID 107147060
1-[4-[2-(2,6-dimethylphenoxy)acetyl]piperazin-1-yl]-2-(1H-indol-3-yl)ethanone
CID 55810341
4-(2,3-dimethylphenyl)-1-piperazin-1-ylbutan-1-one
CID 83922013
3-(hydroxymethyl)-N-[2-(4-methyl-1H-indol-3-yl)ethyl]pyrrolidine-1-carboxamide
CID 111444019
2-(4-chloro-1H-indol-3-yl)-1-[4-(pyridine-2-carbonyl)piperazin-1-yl]ethanone
CID 146091114
2-(4-chloro-2-methylphenyl)-1-piperazin-1-ylethanone
CID 82511847

Frequently Asked Questions

What is the IUPAC name of 2-(4-methyl-1H-indol-3-yl)-1-piperazin-1-ylethanone?
The IUPAC name of 2-(4-methyl-1H-indol-3-yl)-1-piperazin-1-ylethanone (CID 110833761) is 2-(4-methyl-1H-indol-3-yl)-1-piperazin-1-ylethanone.
What is the SMILES notation for 2-(4-methyl-1H-indol-3-yl)-1-piperazin-1-ylethanone?
The canonical SMILES for 2-(4-methyl-1H-indol-3-yl)-1-piperazin-1-ylethanone is Cc1cccc2[nH]cc(CC(=O)N3CCNCC3)c12.
What is the InChIKey of 2-(4-methyl-1H-indol-3-yl)-1-piperazin-1-ylethanone?
The InChIKey is FOEQOJRNTHTJSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O/c1-11-3-2-4-13-15(11)12(10-17-13)9-14(19)18-7-5-16-6-8-18/h2-4,10,16-17H,5-9H2,1H3.
What are the key properties of 2-(4-methyl-1H-indol-3-yl)-1-piperazin-1-ylethanone?
2-(4-methyl-1H-indol-3-yl)-1-piperazin-1-ylethanone has a molecular weight of 257.34 g/mol, XLogP of 1.45, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methyl-1H-indol-3-yl)-1-piperazin-1-ylethanone is sourced from PubChem (CID 110833761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).