3,3-dimethyl-5-(piperazin-1-ylmethyl)-1H-indol-2-one

C15H21N3O — CID 82484213

IUPAC3,3-dimethyl-5-(piperazin-1-ylmethyl)-1H-indol-2-one
SMILESCC1(C)C(=O)Nc2ccc(CN3CCNCC3)cc21
InChIInChI=1S/C15H21N3O/c1-15(2)12-9-11(3-4-13(12)17-14(15)19)10-18-7-5-16-6-8-18/h3-4,9,16H,5-8,10H2,1-2H3,(H,17,19)
InChIKeyGGYJGMKWJYXECB-UHFFFAOYSA-N
MW259.35 g/mol
LogP1.32
Rot. Bonds2

About 3,3-dimethyl-5-(piperazin-1-ylmethyl)-1H-indol-2-one

3,3-dimethyl-5-(piperazin-1-ylmethyl)-1H-indol-2-one (PubChem CID 82484213) has the molecular formula C15H21N3O and a molecular weight of 259.35 g/mol. Its IUPAC name is 3,3-dimethyl-5-(piperazin-1-ylmethyl)-1H-indol-2-one.

Molecular Properties

Compound Name3,3-dimethyl-5-(piperazin-1-ylmethyl)-1H-indol-2-one
PubChem CID82484213
Molecular FormulaC15H21N3O
Molecular Weight259.35 g/mol
Exact Mass259.17
IUPAC Name3,3-dimethyl-5-(piperazin-1-ylmethyl)-1H-indol-2-one
SMILESCC1(C)C(=O)Nc2ccc(CN3CCNCC3)cc21
InChIInChI=1S/C15H21N3O/c1-15(2)12-9-11(3-4-13(12)17-14(15)19)10-18-7-5-16-6-8-18/h3-4,9,16H,5-8,10H2,1-2H3,(H,17,19)
InChIKeyGGYJGMKWJYXECB-UHFFFAOYSA-N
XLogP1.32
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3,3-dimethyl-5-(piperazin-1-ylmethyl)-1H-indol-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 3,3-dimethyl-5-(piperazin-1-ylmethyl)-1H-indol-2-one?
The IUPAC name of 3,3-dimethyl-5-(piperazin-1-ylmethyl)-1H-indol-2-one (CID 82484213) is 3,3-dimethyl-5-(piperazin-1-ylmethyl)-1H-indol-2-one.
What is the SMILES notation for 3,3-dimethyl-5-(piperazin-1-ylmethyl)-1H-indol-2-one?
The canonical SMILES for 3,3-dimethyl-5-(piperazin-1-ylmethyl)-1H-indol-2-one is CC1(C)C(=O)Nc2ccc(CN3CCNCC3)cc21.
What is the InChIKey of 3,3-dimethyl-5-(piperazin-1-ylmethyl)-1H-indol-2-one?
The InChIKey is GGYJGMKWJYXECB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O/c1-15(2)12-9-11(3-4-13(12)17-14(15)19)10-18-7-5-16-6-8-18/h3-4,9,16H,5-8,10H2,1-2H3,(H,17,19).
What are the key properties of 3,3-dimethyl-5-(piperazin-1-ylmethyl)-1H-indol-2-one?
3,3-dimethyl-5-(piperazin-1-ylmethyl)-1H-indol-2-one has a molecular weight of 259.35 g/mol, XLogP of 1.32, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-5-(piperazin-1-ylmethyl)-1H-indol-2-one is sourced from PubChem (CID 82484213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).