3-(2-methyl-1H-indol-3-yl)piperazin-2-one

C13H15N3O — CID 82288488

IUPAC3-(2-methyl-1H-indol-3-yl)piperazin-2-one
SMILESCc1[nH]c2ccccc2c1C1NCCNC1=O
InChIInChI=1S/C13H15N3O/c1-8-11(12-13(17)15-7-6-14-12)9-4-2-3-5-10(9)16-8/h2-5,12,14,16H,6-7H2,1H3,(H,15,17)
InChIKeyWVNXACSAERDPSX-UHFFFAOYSA-N
MW229.28 g/mol
LogP1.24
Rot. Bonds1

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

3-(2-methyl-1H-indol-3-yl)piperazin-2-one (PubChem CID 82288488) has the molecular formula C13H15N3O and a molecular weight of 229.28 g/mol. Its IUPAC name is 3-(2-methyl-1H-indol-3-yl)piperazin-2-one.

Molecular Properties

Compound Name3-(2-methyl-1H-indol-3-yl)piperazin-2-one
PubChem CID82288488
Molecular FormulaC13H15N3O
Molecular Weight229.28 g/mol
Exact Mass229.12
IUPAC Name3-(2-methyl-1H-indol-3-yl)piperazin-2-one
SMILESCc1[nH]c2ccccc2c1C1NCCNC1=O
InChIInChI=1S/C13H15N3O/c1-8-11(12-13(17)15-7-6-14-12)9-4-2-3-5-10(9)16-8/h2-5,12,14,16H,6-7H2,1H3,(H,15,17)
InChIKeyWVNXACSAERDPSX-UHFFFAOYSA-N
XLogP1.24
TPSA56.92 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 51.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-(2-methyl-1H-indol-3-yl)pyrrolidin-2-one
CID 134811497
3-(aziridin-2-yl)-2-methyl-1H-indole
CID 82468105
2-methyl-3-[(2S)-piperazin-2-yl]-1H-indole
CID 95441892
6-(2-methyl-1H-indol-3-yl)-3-phenyl-4,6-dihydro-1H-1,2,4-triazin-5-one
CID 135522036
3-(azepan-4-yl)-2-methyl-1H-indole
CID 82288280
3-(3,3-dimethyloxiran-2-yl)-2-methyl-1H-indole
CID 116864052
2-methyl-3-(1-methylsulfonylpiperidin-4-yl)-1H-indole
CID 47320292
2-methyl-3-(1-methylpyrrolidin-2-yl)-1H-indole
CID 29442
1-(4-fluorophenyl)-3-(2-methyl-1H-indol-3-yl)pyrrolidine-2,5-dione
CID 18833654
3-(4-bromophenyl)-5-(2-methyl-1H-indol-3-yl)-4,5-dihydro-1H-pyridazin-6-one
CID 17272196
3-(7-methoxy-1H-indol-3-yl)piperazin-2-one
CID 82622610
3-[1-(benzenesulfonyl)piperidin-4-yl]-2-methyl-1H-indole
CID 113087336

Frequently Asked Questions

What is the IUPAC name of 3-(2-methyl-1H-indol-3-yl)piperazin-2-one?
The IUPAC name of 3-(2-methyl-1H-indol-3-yl)piperazin-2-one (CID 82288488) is 3-(2-methyl-1H-indol-3-yl)piperazin-2-one.
What is the SMILES notation for 3-(2-methyl-1H-indol-3-yl)piperazin-2-one?
The canonical SMILES for 3-(2-methyl-1H-indol-3-yl)piperazin-2-one is Cc1[nH]c2ccccc2c1C1NCCNC1=O.
What is the InChIKey of 3-(2-methyl-1H-indol-3-yl)piperazin-2-one?
The InChIKey is WVNXACSAERDPSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O/c1-8-11(12-13(17)15-7-6-14-12)9-4-2-3-5-10(9)16-8/h2-5,12,14,16H,6-7H2,1H3,(H,15,17).
What are the key properties of 3-(2-methyl-1H-indol-3-yl)piperazin-2-one?
3-(2-methyl-1H-indol-3-yl)piperazin-2-one has a molecular weight of 229.28 g/mol, XLogP of 1.24, 1 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methyl-1H-indol-3-yl)piperazin-2-one is sourced from PubChem (CID 82288488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).