2-(1-methylindol-3-yl)-1-piperazin-1-ylethanone

C15H19N3O — CID 82120795

IUPAC2-(1-methylindol-3-yl)-1-piperazin-1-ylethanone
SMILESCn1cc(CC(=O)N2CCNCC2)c2ccccc21
InChIInChI=1S/C15H19N3O/c1-17-11-12(13-4-2-3-5-14(13)17)10-15(19)18-8-6-16-7-9-18/h2-5,11,16H,6-10H2,1H3
InChIKeyQOKNQIRXUSWMTR-UHFFFAOYSA-N
MW257.34 g/mol
LogP1.15
Rot. Bonds2

About 2-(1-methylindol-3-yl)-1-piperazin-1-ylethanone

2-(1-methylindol-3-yl)-1-piperazin-1-ylethanone (PubChem CID 82120795) has the molecular formula C15H19N3O and a molecular weight of 257.34 g/mol. Its IUPAC name is 2-(1-methylindol-3-yl)-1-piperazin-1-ylethanone.

Molecular Properties

Compound Name2-(1-methylindol-3-yl)-1-piperazin-1-ylethanone
PubChem CID82120795
Molecular FormulaC15H19N3O
Molecular Weight257.34 g/mol
Exact Mass257.15
IUPAC Name2-(1-methylindol-3-yl)-1-piperazin-1-ylethanone
SMILESCn1cc(CC(=O)N2CCNCC2)c2ccccc21
InChIInChI=1S/C15H19N3O/c1-17-11-12(13-4-2-3-5-14(13)17)10-15(19)18-8-6-16-7-9-18/h2-5,11,16H,6-10H2,1H3
InChIKeyQOKNQIRXUSWMTR-UHFFFAOYSA-N
XLogP1.15
TPSA37.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.34
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-[2-(1-methylindol-3-yl)acetyl]piperazin-1-yl]propan-1-one
CID 110799894
1-(4-hydroxypiperidin-1-yl)-2-(1-methylindol-3-yl)ethanone
CID 96668513
2-(6-fluoro-1-methylindol-3-yl)-1-piperazin-1-ylethanone
CID 95432808
3,3-dimethyl-1-[4-[2-(1-methylindol-3-yl)acetyl]-1,4-diazepan-1-yl]butan-1-one
CID 110809561
2-(1-methylindol-3-yl)-1-(4-pyridin-4-ylpiperidin-1-yl)ethanone
CID 70783175
1-(4-cyclohexylpiperazin-4-ium-1-yl)-2-(1-methylindol-3-yl)ethanone
CID 3634563
1-[4-(3,5-dimethyl-1H-pyrazol-4-yl)piperazin-1-yl]-2-(1-methylindol-3-yl)ethanone
CID 90506349
N,N-dimethyl-4-[2-(1-methylindol-3-yl)acetyl]-1,4-diazepane-1-sulfonamide
CID 139599568
2-(1-methylindol-3-yl)-1-[(3S)-3-phenylazepan-1-yl]ethanone
CID 129409350
4-[4-[2-(1-methylindol-3-yl)acetyl]piperazin-1-yl]-3-phenyl-1H-pyridazin-6-one
CID 154581617
1-(1,3-dihydroisoindol-2-yl)-3-(1-methylindol-3-yl)propan-1-one
CID 141396393
1-[1-[2-(1-methylindol-3-yl)acetyl]azetidin-3-yl]piperidine-4-carboxamide
CID 121153975

Frequently Asked Questions

What is the IUPAC name of 2-(1-methylindol-3-yl)-1-piperazin-1-ylethanone?
The IUPAC name of 2-(1-methylindol-3-yl)-1-piperazin-1-ylethanone (CID 82120795) is 2-(1-methylindol-3-yl)-1-piperazin-1-ylethanone.
What is the SMILES notation for 2-(1-methylindol-3-yl)-1-piperazin-1-ylethanone?
The canonical SMILES for 2-(1-methylindol-3-yl)-1-piperazin-1-ylethanone is Cn1cc(CC(=O)N2CCNCC2)c2ccccc21.
What is the InChIKey of 2-(1-methylindol-3-yl)-1-piperazin-1-ylethanone?
The InChIKey is QOKNQIRXUSWMTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O/c1-17-11-12(13-4-2-3-5-14(13)17)10-15(19)18-8-6-16-7-9-18/h2-5,11,16H,6-10H2,1H3.
What are the key properties of 2-(1-methylindol-3-yl)-1-piperazin-1-ylethanone?
2-(1-methylindol-3-yl)-1-piperazin-1-ylethanone has a molecular weight of 257.34 g/mol, XLogP of 1.15, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methylindol-3-yl)-1-piperazin-1-ylethanone is sourced from PubChem (CID 82120795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).