5-[2-[4-(2,2-dimethylpropanoyl)piperazin-1-yl]-2-oxoethyl]-3,3-dimethyl-1H-indol-2-one

C21H29N3O3 — CID 110801562

IUPAC5-[2-[4-(2,2-dimethylpropanoyl)piperazin-1-yl]-2-oxoethyl]-3,3-dimethyl-1H-indol-2-one
SMILESCC(C)(C)C(=O)N1CCN(C(=O)Cc2ccc3c(c2)C(C)(C)C(=O)N3)CC1
InChIInChI=1S/C21H29N3O3/c1-20(2,3)19(27)24-10-8-23(9-11-24)17(25)13-14-6-7-16-15(12-14)21(4,5)18(26)22-16/h6-7,12H,8-11,13H2,1-5H3,(H,22,26)
InChIKeyVTKFQWYAVDQBMG-UHFFFAOYSA-N
MW371.48 g/mol
LogP2.18
Rot. Bonds2

About 5-[2-[4-(2,2-dimethylpropanoyl)piperazin-1-yl]-2-oxoethyl]-3,3-dimethyl-1H-indol-2-one

5-[2-[4-(2,2-dimethylpropanoyl)piperazin-1-yl]-2-oxoethyl]-3,3-dimethyl-1H-indol-2-one (PubChem CID 110801562) has the molecular formula C21H29N3O3 and a molecular weight of 371.48 g/mol. Its IUPAC name is 5-[2-[4-(2,2-dimethylpropanoyl)piperazin-1-yl]-2-oxoethyl]-3,3-dimethyl-1H-indol-2-one.

Molecular Properties

Compound Name5-[2-[4-(2,2-dimethylpropanoyl)piperazin-1-yl]-2-oxoethyl]-3,3-dimethyl-1H-indol-2-one
PubChem CID110801562
Molecular FormulaC21H29N3O3
Molecular Weight371.48 g/mol
Exact Mass371.22
IUPAC Name5-[2-[4-(2,2-dimethylpropanoyl)piperazin-1-yl]-2-oxoethyl]-3,3-dimethyl-1H-indol-2-one
SMILESCC(C)(C)C(=O)N1CCN(C(=O)Cc2ccc3c(c2)C(C)(C)C(=O)N3)CC1
InChIInChI=1S/C21H29N3O3/c1-20(2,3)19(27)24-10-8-23(9-11-24)17(25)13-14-6-7-16-15(12-14)21(4,5)18(26)22-16/h6-7,12H,8-11,13H2,1-5H3,(H,22,26)
InChIKeyVTKFQWYAVDQBMG-UHFFFAOYSA-N
XLogP2.18
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.48
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 5-[2-[4-(2,2-dimethylpropanoyl)piperazin-1-yl]-2-oxoethyl]-3,3-dimethyl-1H-indol-2-one with MolForge

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Related Compounds

3,3-dimethyl-5-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-1H-indol-2-one
CID 110770924
3,3-dimethyl-5-[2-(4-methylsulfonylpiperazin-1-yl)-2-oxoethyl]-1H-indol-2-one
CID 110804618
4-[2-(3,3-dimethyl-2-oxo-1H-indol-5-yl)acetyl]-N-propylpiperazine-1-carboxamide
CID 110813101
5-[2-[4-(2,2-dimethylpropanoyl)-1,4-diazepan-1-yl]-2-oxoethyl]-1,3-dihydroindol-2-one
CID 110807421
1-[4-[2-(2,3-dihydro-1H-inden-5-yl)acetyl]piperazin-1-yl]-2,2-dimethylpropan-1-one
CID 110801525
1-[4-[2-(1,3-benzodioxol-5-yl)acetyl]piperazin-1-yl]-2,2-dimethylpropan-1-one
CID 110801526
2,2-dimethyl-1-[4-[2-(3-methylphenyl)acetyl]piperazin-1-yl]propan-1-one
CID 110817960
3,3-dimethyl-5-(piperazin-1-ylmethyl)-1H-indol-2-one
CID 82484213
5-[(1-aminocyclopropyl)methyl]-3,3-dimethyl-1H-indol-2-one
CID 117332888
2,2-dimethyl-1-[4-[2-(2-methyl-3H-benzimidazol-5-yl)acetyl]piperazin-1-yl]propan-1-one
CID 110801573
1-[4-[2-(3-methoxyphenyl)acetyl]piperazin-1-yl]-2,2-dimethylpropan-1-one
CID 110817966
1-[4-[2-(2,3-dihydro-1-benzofuran-5-yl)acetyl]piperazin-1-yl]-2,2-dimethylpropan-1-one
CID 110801585

Frequently Asked Questions

What is the IUPAC name of 5-[2-[4-(2,2-dimethylpropanoyl)piperazin-1-yl]-2-oxoethyl]-3,3-dimethyl-1H-indol-2-one?
The IUPAC name of 5-[2-[4-(2,2-dimethylpropanoyl)piperazin-1-yl]-2-oxoethyl]-3,3-dimethyl-1H-indol-2-one (CID 110801562) is 5-[2-[4-(2,2-dimethylpropanoyl)piperazin-1-yl]-2-oxoethyl]-3,3-dimethyl-1H-indol-2-one.
What is the SMILES notation for 5-[2-[4-(2,2-dimethylpropanoyl)piperazin-1-yl]-2-oxoethyl]-3,3-dimethyl-1H-indol-2-one?
The canonical SMILES for 5-[2-[4-(2,2-dimethylpropanoyl)piperazin-1-yl]-2-oxoethyl]-3,3-dimethyl-1H-indol-2-one is CC(C)(C)C(=O)N1CCN(C(=O)Cc2ccc3c(c2)C(C)(C)C(=O)N3)CC1.
What is the InChIKey of 5-[2-[4-(2,2-dimethylpropanoyl)piperazin-1-yl]-2-oxoethyl]-3,3-dimethyl-1H-indol-2-one?
The InChIKey is VTKFQWYAVDQBMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N3O3/c1-20(2,3)19(27)24-10-8-23(9-11-24)17(25)13-14-6-7-16-15(12-14)21(4,5)18(26)22-16/h6-7,12H,8-11,13H2,1-5H3,(H,22,26).
What are the key properties of 5-[2-[4-(2,2-dimethylpropanoyl)piperazin-1-yl]-2-oxoethyl]-3,3-dimethyl-1H-indol-2-one?
5-[2-[4-(2,2-dimethylpropanoyl)piperazin-1-yl]-2-oxoethyl]-3,3-dimethyl-1H-indol-2-one has a molecular weight of 371.48 g/mol, XLogP of 2.18, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[4-(2,2-dimethylpropanoyl)piperazin-1-yl]-2-oxoethyl]-3,3-dimethyl-1H-indol-2-one is sourced from PubChem (CID 110801562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).