5-(2-oxo-2-piperazin-1-ylethyl)-1,3-dihydroindol-2-one

C14H17N3O2 — CID 82301093

IUPAC5-(2-oxo-2-piperazin-1-ylethyl)-1,3-dihydroindol-2-one
SMILESO=C1Cc2cc(CC(=O)N3CCNCC3)ccc2N1
InChIInChI=1S/C14H17N3O2/c18-13-9-11-7-10(1-2-12(11)16-13)8-14(19)17-5-3-15-4-6-17/h1-2,7,15H,3-6,8-9H2,(H,16,18)
InChIKeyOJJOQFCCCMJELU-UHFFFAOYSA-N
MW259.31 g/mol
LogP0.16
Rot. Bonds2

About 5-(2-oxo-2-piperazin-1-ylethyl)-1,3-dihydroindol-2-one

5-(2-oxo-2-piperazin-1-ylethyl)-1,3-dihydroindol-2-one (PubChem CID 82301093) has the molecular formula C14H17N3O2 and a molecular weight of 259.31 g/mol. Its IUPAC name is 5-(2-oxo-2-piperazin-1-ylethyl)-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name5-(2-oxo-2-piperazin-1-ylethyl)-1,3-dihydroindol-2-one
PubChem CID82301093
Molecular FormulaC14H17N3O2
Molecular Weight259.31 g/mol
Exact Mass259.13
IUPAC Name5-(2-oxo-2-piperazin-1-ylethyl)-1,3-dihydroindol-2-one
SMILESO=C1Cc2cc(CC(=O)N3CCNCC3)ccc2N1
InChIInChI=1S/C14H17N3O2/c18-13-9-11-7-10(1-2-12(11)16-13)8-14(19)17-5-3-15-4-6-17/h1-2,7,15H,3-6,8-9H2,(H,16,18)
InChIKeyOJJOQFCCCMJELU-UHFFFAOYSA-N
XLogP0.16
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 50.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[2-(2-oxo-1,3-dihydroindol-5-yl)acetyl]piperazine-1-carbaldehyde
CID 110768084
4-[2-(2-oxo-1,3-dihydroindol-5-yl)acetyl]-N-propan-2-ylpiperazine-1-carboxamide
CID 110812997
5-[2-[4-(3-methylbutanoyl)-1,4-diazepan-1-yl]-2-oxoethyl]-1,3-dihydroindol-2-one
CID 110806965
5-[2-[4-(2,2-dimethylpropanoyl)-1,4-diazepan-1-yl]-2-oxoethyl]-1,3-dihydroindol-2-one
CID 110807421
2-(2-oxo-1,3-dihydroindol-5-yl)acetamide
CID 82490915
1-piperazin-1-yl-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanone
CID 82132544
5-[4-[(3R)-3-methylpiperazin-1-yl]-4-oxobutyl]-1,3-dihydroindol-2-one
CID 124620564
2-(2,3-dihydro-1H-isoindol-5-yl)-1-piperazin-1-ylethanone
CID 115104675
N'-methyl-2-(2-oxo-1,3-dihydroindol-5-yl)acetohydrazide
CID 116846191
6-[2-[4-(2-ethylbutanoyl)piperazin-1-yl]-2-oxoethyl]-3,4-dihydro-1H-quinolin-2-one
CID 110801831
N-methyl-2-(2-oxo-1,3-dihydroindol-5-yl)acetohydrazide
CID 116844796
5-(piperidin-4-ylmethyl)-1,3-dihydroindol-2-one
CID 82231323

Frequently Asked Questions

What is the IUPAC name of 5-(2-oxo-2-piperazin-1-ylethyl)-1,3-dihydroindol-2-one?
The IUPAC name of 5-(2-oxo-2-piperazin-1-ylethyl)-1,3-dihydroindol-2-one (CID 82301093) is 5-(2-oxo-2-piperazin-1-ylethyl)-1,3-dihydroindol-2-one.
What is the SMILES notation for 5-(2-oxo-2-piperazin-1-ylethyl)-1,3-dihydroindol-2-one?
The canonical SMILES for 5-(2-oxo-2-piperazin-1-ylethyl)-1,3-dihydroindol-2-one is O=C1Cc2cc(CC(=O)N3CCNCC3)ccc2N1.
What is the InChIKey of 5-(2-oxo-2-piperazin-1-ylethyl)-1,3-dihydroindol-2-one?
The InChIKey is OJJOQFCCCMJELU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2/c18-13-9-11-7-10(1-2-12(11)16-13)8-14(19)17-5-3-15-4-6-17/h1-2,7,15H,3-6,8-9H2,(H,16,18).
What are the key properties of 5-(2-oxo-2-piperazin-1-ylethyl)-1,3-dihydroindol-2-one?
5-(2-oxo-2-piperazin-1-ylethyl)-1,3-dihydroindol-2-one has a molecular weight of 259.31 g/mol, XLogP of 0.16, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-oxo-2-piperazin-1-ylethyl)-1,3-dihydroindol-2-one is sourced from PubChem (CID 82301093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).