1-(2-oxo-2-piperazin-1-ylethyl)-3H-indol-2-one

C14H17N3O2 — CID 24696851

IUPAC1-(2-oxo-2-piperazin-1-ylethyl)-3H-indol-2-one
SMILESO=C(CN1C(=O)Cc2ccccc21)N1CCNCC1
InChIInChI=1S/C14H17N3O2/c18-13-9-11-3-1-2-4-12(11)17(13)10-14(19)16-7-5-15-6-8-16/h1-4,15H,5-10H2
InChIKeyHDTHMNQYPXKCTD-UHFFFAOYSA-N
MW259.31 g/mol
LogP0.01
Rot. Bonds2

About 1-(2-oxo-2-piperazin-1-ylethyl)-3H-indol-2-one

1-(2-oxo-2-piperazin-1-ylethyl)-3H-indol-2-one (PubChem CID 24696851) has the molecular formula C14H17N3O2 and a molecular weight of 259.31 g/mol. Its IUPAC name is 1-(2-oxo-2-piperazin-1-ylethyl)-3H-indol-2-one.

Molecular Properties

Compound Name1-(2-oxo-2-piperazin-1-ylethyl)-3H-indol-2-one
PubChem CID24696851
Molecular FormulaC14H17N3O2
Molecular Weight259.31 g/mol
Exact Mass259.13
IUPAC Name1-(2-oxo-2-piperazin-1-ylethyl)-3H-indol-2-one
SMILESO=C(CN1C(=O)Cc2ccccc21)N1CCNCC1
InChIInChI=1S/C14H17N3O2/c18-13-9-11-3-1-2-4-12(11)17(13)10-14(19)16-7-5-15-6-8-16/h1-4,15H,5-10H2
InChIKeyHDTHMNQYPXKCTD-UHFFFAOYSA-N
XLogP0.01
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 50.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-oxo-2-piperazin-1-ylethyl)-4,5-dihydro-3H-1-benzazepin-2-one;hydrochloride
CID 119403364
2-(2-oxo-3H-indol-1-yl)acetamide
CID 840219
4-(3-oxo-3-piperazin-1-ylpropyl)-1,4-benzoxazin-3-one
CID 39163207
1-(2-oxo-2-piperazin-1-ylethyl)pyrrole-2,5-dione
CID 61349224
1-[2-[3-(methylsulfanylmethyl)piperidin-1-yl]-2-oxoethyl]-3H-indol-2-one
CID 136553886
1-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-4,5-dihydro-3H-1-benzazepin-2-one
CID 50758126
1-(1,4-diazepan-1-yl)-2-(2,3-dihydroindol-1-yl)ethanone;dihydrochloride
CID 119417200
7-methyl-4-(2-oxo-2-piperazin-1-ylethyl)-1,4-benzoxazin-3-one
CID 39161811
4-(2,3-dihydroindol-1-yl)-1-piperazin-1-ylbutan-1-one
CID 39284028
N-(2-hydroxyethyl)-2-(2-oxo-3H-indol-1-yl)acetamide
CID 43509738
5-fluoro-1-(2-oxo-2-piperidin-1-ylethyl)-3H-indol-2-one
CID 155958104
2-(2-morpholin-4-yl-2-oxoethyl)-4H-isoquinoline-1,3-dione
CID 17449767

Frequently Asked Questions

What is the IUPAC name of 1-(2-oxo-2-piperazin-1-ylethyl)-3H-indol-2-one?
The IUPAC name of 1-(2-oxo-2-piperazin-1-ylethyl)-3H-indol-2-one (CID 24696851) is 1-(2-oxo-2-piperazin-1-ylethyl)-3H-indol-2-one.
What is the SMILES notation for 1-(2-oxo-2-piperazin-1-ylethyl)-3H-indol-2-one?
The canonical SMILES for 1-(2-oxo-2-piperazin-1-ylethyl)-3H-indol-2-one is O=C(CN1C(=O)Cc2ccccc21)N1CCNCC1.
What is the InChIKey of 1-(2-oxo-2-piperazin-1-ylethyl)-3H-indol-2-one?
The InChIKey is HDTHMNQYPXKCTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2/c18-13-9-11-3-1-2-4-12(11)17(13)10-14(19)16-7-5-15-6-8-16/h1-4,15H,5-10H2.
What are the key properties of 1-(2-oxo-2-piperazin-1-ylethyl)-3H-indol-2-one?
1-(2-oxo-2-piperazin-1-ylethyl)-3H-indol-2-one has a molecular weight of 259.31 g/mol, XLogP of 0.01, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-oxo-2-piperazin-1-ylethyl)-3H-indol-2-one is sourced from PubChem (CID 24696851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).