4-[2-(2,3-dihydroindol-1-yl)acetyl]-1-methylpiperazin-2-one

C15H19N3O2 — CID 129470949

IUPAC4-[2-(2,3-dihydroindol-1-yl)acetyl]-1-methylpiperazin-2-one
SMILESCN1CCN(C(=O)CN2CCc3ccccc32)CC1=O
InChIInChI=1S/C15H19N3O2/c1-16-8-9-18(10-14(16)19)15(20)11-17-7-6-12-4-2-3-5-13(12)17/h2-5H,6-11H2,1H3
InChIKeyTWUBPLKSXINRTE-UHFFFAOYSA-N
MW273.34 g/mol
LogP0.35
Rot. Bonds2

About 4-[2-(2,3-dihydroindol-1-yl)acetyl]-1-methylpiperazin-2-one

4-[2-(2,3-dihydroindol-1-yl)acetyl]-1-methylpiperazin-2-one (PubChem CID 129470949) has the molecular formula C15H19N3O2 and a molecular weight of 273.34 g/mol. Its IUPAC name is 4-[2-(2,3-dihydroindol-1-yl)acetyl]-1-methylpiperazin-2-one.

Molecular Properties

Compound Name4-[2-(2,3-dihydroindol-1-yl)acetyl]-1-methylpiperazin-2-one
PubChem CID129470949
Molecular FormulaC15H19N3O2
Molecular Weight273.34 g/mol
Exact Mass273.15
IUPAC Name4-[2-(2,3-dihydroindol-1-yl)acetyl]-1-methylpiperazin-2-one
SMILESCN1CCN(C(=O)CN2CCc3ccccc32)CC1=O
InChIInChI=1S/C15H19N3O2/c1-16-8-9-18(10-14(16)19)15(20)11-17-7-6-12-4-2-3-5-13(12)17/h2-5H,6-11H2,1H3
InChIKeyTWUBPLKSXINRTE-UHFFFAOYSA-N
XLogP0.35
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 50.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1,4-diazepan-1-yl)-2-(2,3-dihydroindol-1-yl)ethanone;dihydrochloride
CID 119417200
2-(2,3-dihydroindol-1-yl)-1-[4-(3-methylphenyl)piperazin-1-yl]ethanone
CID 51284947
2-(2,3-dihydroindol-1-yl)acetate
CID 6935608
1-[2-(2,3-dihydroindol-1-yl)acetyl]pyrrolidine-3-carboxylic acid
CID 119353686
2-(3,4-dihydro-2H-quinolin-1-yl)-1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)ethanone
CID 31308382
1-methyl-4-propanoylpiperazin-2-one
CID 64693548
4-(3,3-diphenylpropanoyl)-1-methylpiperazin-2-one
CID 110708065
2-(3,4-dihydro-2H-quinolin-1-yl)-1-(4-methylpiperidin-1-yl)ethanone
CID 54816851
2-(3,4-dihydro-2H-quinolin-1-yl)-1-(4-phenylpiperazin-1-yl)ethanone
CID 9329012
1-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-4,5-dihydro-3H-1-benzazepin-2-one
CID 50758126
1-(2-methylprop-2-enyl)-2,3-dihydroindole
CID 15723561
(2S)-4-[2-(2,3-dihydroindol-1-yl)acetyl]morpholine-2-carboxamide
CID 94369976

Frequently Asked Questions

What is the IUPAC name of 4-[2-(2,3-dihydroindol-1-yl)acetyl]-1-methylpiperazin-2-one?
The IUPAC name of 4-[2-(2,3-dihydroindol-1-yl)acetyl]-1-methylpiperazin-2-one (CID 129470949) is 4-[2-(2,3-dihydroindol-1-yl)acetyl]-1-methylpiperazin-2-one.
What is the SMILES notation for 4-[2-(2,3-dihydroindol-1-yl)acetyl]-1-methylpiperazin-2-one?
The canonical SMILES for 4-[2-(2,3-dihydroindol-1-yl)acetyl]-1-methylpiperazin-2-one is CN1CCN(C(=O)CN2CCc3ccccc32)CC1=O.
What is the InChIKey of 4-[2-(2,3-dihydroindol-1-yl)acetyl]-1-methylpiperazin-2-one?
The InChIKey is TWUBPLKSXINRTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2/c1-16-8-9-18(10-14(16)19)15(20)11-17-7-6-12-4-2-3-5-13(12)17/h2-5H,6-11H2,1H3.
What are the key properties of 4-[2-(2,3-dihydroindol-1-yl)acetyl]-1-methylpiperazin-2-one?
4-[2-(2,3-dihydroindol-1-yl)acetyl]-1-methylpiperazin-2-one has a molecular weight of 273.34 g/mol, XLogP of 0.35, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(2,3-dihydroindol-1-yl)acetyl]-1-methylpiperazin-2-one is sourced from PubChem (CID 129470949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).