6-(2,2-dimethyl-3-oxopiperazin-1-yl)-3-(methylamino)-1,3-dihydroindol-2-one

C15H20N4O2 — CID 63597041

IUPAC6-(2,2-dimethyl-3-oxopiperazin-1-yl)-3-(methylamino)-1,3-dihydroindol-2-one
SMILESCNC1C(=O)Nc2cc(N3CCNC(=O)C3(C)C)ccc21
InChIInChI=1S/C15H20N4O2/c1-15(2)14(21)17-6-7-19(15)9-4-5-10-11(8-9)18-13(20)12(10)16-3/h4-5,8,12,16H,6-7H2,1-3H3,(H,17,21)(H,18,20)
InChIKeyUHSQXBCNGWLXOV-UHFFFAOYSA-N
MW288.35 g/mol
LogP0.61
Rot. Bonds2

About 6-(2,2-dimethyl-3-oxopiperazin-1-yl)-3-(methylamino)-1,3-dihydroindol-2-one

6-(2,2-dimethyl-3-oxopiperazin-1-yl)-3-(methylamino)-1,3-dihydroindol-2-one (PubChem CID 63597041) has the molecular formula C15H20N4O2 and a molecular weight of 288.35 g/mol. Its IUPAC name is 6-(2,2-dimethyl-3-oxopiperazin-1-yl)-3-(methylamino)-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name6-(2,2-dimethyl-3-oxopiperazin-1-yl)-3-(methylamino)-1,3-dihydroindol-2-one
PubChem CID63597041
Molecular FormulaC15H20N4O2
Molecular Weight288.35 g/mol
Exact Mass288.16
IUPAC Name6-(2,2-dimethyl-3-oxopiperazin-1-yl)-3-(methylamino)-1,3-dihydroindol-2-one
SMILESCNC1C(=O)Nc2cc(N3CCNC(=O)C3(C)C)ccc21
InChIInChI=1S/C15H20N4O2/c1-15(2)14(21)17-6-7-19(15)9-4-5-10-11(8-9)18-13(20)12(10)16-3/h4-5,8,12,16H,6-7H2,1-3H3,(H,17,21)(H,18,20)
InChIKeyUHSQXBCNGWLXOV-UHFFFAOYSA-N
XLogP0.61
TPSA73.47 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 50.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}

Analyze 6-(2,2-dimethyl-3-oxopiperazin-1-yl)-3-(methylamino)-1,3-dihydroindol-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-(2,2-dimethyl-3-oxopiperazin-1-yl)-3-(methylamino)-1,3-dihydroindol-2-one?
The IUPAC name of 6-(2,2-dimethyl-3-oxopiperazin-1-yl)-3-(methylamino)-1,3-dihydroindol-2-one (CID 63597041) is 6-(2,2-dimethyl-3-oxopiperazin-1-yl)-3-(methylamino)-1,3-dihydroindol-2-one.
What is the SMILES notation for 6-(2,2-dimethyl-3-oxopiperazin-1-yl)-3-(methylamino)-1,3-dihydroindol-2-one?
The canonical SMILES for 6-(2,2-dimethyl-3-oxopiperazin-1-yl)-3-(methylamino)-1,3-dihydroindol-2-one is CNC1C(=O)Nc2cc(N3CCNC(=O)C3(C)C)ccc21.
What is the InChIKey of 6-(2,2-dimethyl-3-oxopiperazin-1-yl)-3-(methylamino)-1,3-dihydroindol-2-one?
The InChIKey is UHSQXBCNGWLXOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O2/c1-15(2)14(21)17-6-7-19(15)9-4-5-10-11(8-9)18-13(20)12(10)16-3/h4-5,8,12,16H,6-7H2,1-3H3,(H,17,21)(H,18,20).
What are the key properties of 6-(2,2-dimethyl-3-oxopiperazin-1-yl)-3-(methylamino)-1,3-dihydroindol-2-one?
6-(2,2-dimethyl-3-oxopiperazin-1-yl)-3-(methylamino)-1,3-dihydroindol-2-one has a molecular weight of 288.35 g/mol, XLogP of 0.61, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,2-dimethyl-3-oxopiperazin-1-yl)-3-(methylamino)-1,3-dihydroindol-2-one is sourced from PubChem (CID 63597041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).