5-amino-6-(2-methyl-3-oxopiperazin-1-yl)-1,3-dihydroindol-2-one

C13H16N4O2 — CID 55216307

IUPAC5-amino-6-(2-methyl-3-oxopiperazin-1-yl)-1,3-dihydroindol-2-one
SMILESCC1C(=O)NCCN1c1cc2c(cc1N)CC(=O)N2
InChIInChI=1S/C13H16N4O2/c1-7-13(19)15-2-3-17(7)11-6-10-8(4-9(11)14)5-12(18)16-10/h4,6-7H,2-3,5,14H2,1H3,(H,15,19)(H,16,18)
InChIKeyRGZKVAQLMRYIMF-UHFFFAOYSA-N
MW260.30 g/mol
LogP0.09
Rot. Bonds1

About 5-amino-6-(2-methyl-3-oxopiperazin-1-yl)-1,3-dihydroindol-2-one

5-amino-6-(2-methyl-3-oxopiperazin-1-yl)-1,3-dihydroindol-2-one (PubChem CID 55216307) has the molecular formula C13H16N4O2 and a molecular weight of 260.30 g/mol. Its IUPAC name is 5-amino-6-(2-methyl-3-oxopiperazin-1-yl)-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name5-amino-6-(2-methyl-3-oxopiperazin-1-yl)-1,3-dihydroindol-2-one
PubChem CID55216307
Molecular FormulaC13H16N4O2
Molecular Weight260.30 g/mol
Exact Mass260.13
IUPAC Name5-amino-6-(2-methyl-3-oxopiperazin-1-yl)-1,3-dihydroindol-2-one
SMILESCC1C(=O)NCCN1c1cc2c(cc1N)CC(=O)N2
InChIInChI=1S/C13H16N4O2/c1-7-13(19)15-2-3-17(7)11-6-10-8(4-9(11)14)5-12(18)16-10/h4,6-7H,2-3,5,14H2,1H3,(H,15,19)(H,16,18)
InChIKeyRGZKVAQLMRYIMF-UHFFFAOYSA-N
XLogP0.09
TPSA87.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.30
LogP ≤ 50.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-amino-6-(2-methyl-3-oxopiperazin-1-yl)-1,3-dihydroindol-2-one?
The IUPAC name of 5-amino-6-(2-methyl-3-oxopiperazin-1-yl)-1,3-dihydroindol-2-one (CID 55216307) is 5-amino-6-(2-methyl-3-oxopiperazin-1-yl)-1,3-dihydroindol-2-one.
What is the SMILES notation for 5-amino-6-(2-methyl-3-oxopiperazin-1-yl)-1,3-dihydroindol-2-one?
The canonical SMILES for 5-amino-6-(2-methyl-3-oxopiperazin-1-yl)-1,3-dihydroindol-2-one is CC1C(=O)NCCN1c1cc2c(cc1N)CC(=O)N2.
What is the InChIKey of 5-amino-6-(2-methyl-3-oxopiperazin-1-yl)-1,3-dihydroindol-2-one?
The InChIKey is RGZKVAQLMRYIMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O2/c1-7-13(19)15-2-3-17(7)11-6-10-8(4-9(11)14)5-12(18)16-10/h4,6-7H,2-3,5,14H2,1H3,(H,15,19)(H,16,18).
What are the key properties of 5-amino-6-(2-methyl-3-oxopiperazin-1-yl)-1,3-dihydroindol-2-one?
5-amino-6-(2-methyl-3-oxopiperazin-1-yl)-1,3-dihydroindol-2-one has a molecular weight of 260.30 g/mol, XLogP of 0.09, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-6-(2-methyl-3-oxopiperazin-1-yl)-1,3-dihydroindol-2-one is sourced from PubChem (CID 55216307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).