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

C17H23N3O2 — CID 110770924

IUPAC3,3-dimethyl-5-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-1H-indol-2-one
SMILESCN1CCN(C(=O)Cc2ccc3c(c2)C(C)(C)C(=O)N3)CC1
InChIInChI=1S/C17H23N3O2/c1-17(2)13-10-12(4-5-14(13)18-16(17)22)11-15(21)20-8-6-19(3)7-9-20/h4-5,10H,6-9,11H2,1-3H3,(H,18,22)
InChIKeyJSQMWDVXWVRETI-UHFFFAOYSA-N
MW301.39 g/mol
LogP1.23
Rot. Bonds2

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

3,3-dimethyl-5-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-1H-indol-2-one (PubChem CID 110770924) has the molecular formula C17H23N3O2 and a molecular weight of 301.39 g/mol. Its IUPAC name is 3,3-dimethyl-5-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-1H-indol-2-one.

Molecular Properties

Compound Name3,3-dimethyl-5-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-1H-indol-2-one
PubChem CID110770924
Molecular FormulaC17H23N3O2
Molecular Weight301.39 g/mol
Exact Mass301.18
IUPAC Name3,3-dimethyl-5-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-1H-indol-2-one
SMILESCN1CCN(C(=O)Cc2ccc3c(c2)C(C)(C)C(=O)N3)CC1
InChIInChI=1S/C17H23N3O2/c1-17(2)13-10-12(4-5-14(13)18-16(17)22)11-15(21)20-8-6-19(3)7-9-20/h4-5,10H,6-9,11H2,1-3H3,(H,18,22)
InChIKeyJSQMWDVXWVRETI-UHFFFAOYSA-N
XLogP1.23
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-5-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-1H-indol-2-one?
The IUPAC name of 3,3-dimethyl-5-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-1H-indol-2-one (CID 110770924) is 3,3-dimethyl-5-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-1H-indol-2-one.
What is the SMILES notation for 3,3-dimethyl-5-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-1H-indol-2-one?
The canonical SMILES for 3,3-dimethyl-5-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-1H-indol-2-one is CN1CCN(C(=O)Cc2ccc3c(c2)C(C)(C)C(=O)N3)CC1.
What is the InChIKey of 3,3-dimethyl-5-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-1H-indol-2-one?
The InChIKey is JSQMWDVXWVRETI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O2/c1-17(2)13-10-12(4-5-14(13)18-16(17)22)11-15(21)20-8-6-19(3)7-9-20/h4-5,10H,6-9,11H2,1-3H3,(H,18,22).
What are the key properties of 3,3-dimethyl-5-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-1H-indol-2-one?
3,3-dimethyl-5-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-1H-indol-2-one has a molecular weight of 301.39 g/mol, XLogP of 1.23, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-5-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-1H-indol-2-one is sourced from PubChem (CID 110770924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).