3-(2,6-dimethylpiperidin-1-yl)imino-1H-indol-2-one

C15H19N3O — CID 135582235

IUPAC3-(2,6-dimethylpiperidin-1-yl)imino-1H-indol-2-one
SMILESCC1CCCC(C)N1N=C1C(=O)Nc2ccccc21
InChIInChI=1S/C15H19N3O/c1-10-6-5-7-11(2)18(10)17-14-12-8-3-4-9-13(12)16-15(14)19/h3-4,8-11H,5-7H2,1-2H3,(H,16,17,19)
InChIKeyXGRIKYKNBKRWJV-UHFFFAOYSA-N
MW257.34 g/mol
LogP2.61
Rot. Bonds1

About 3-(2,6-dimethylpiperidin-1-yl)imino-1H-indol-2-one

3-(2,6-dimethylpiperidin-1-yl)imino-1H-indol-2-one (PubChem CID 135582235) has the molecular formula C15H19N3O and a molecular weight of 257.34 g/mol. Its IUPAC name is 3-(2,6-dimethylpiperidin-1-yl)imino-1H-indol-2-one.

Molecular Properties

Compound Name3-(2,6-dimethylpiperidin-1-yl)imino-1H-indol-2-one
PubChem CID135582235
Molecular FormulaC15H19N3O
Molecular Weight257.34 g/mol
Exact Mass257.15
IUPAC Name3-(2,6-dimethylpiperidin-1-yl)imino-1H-indol-2-one
SMILESCC1CCCC(C)N1N=C1C(=O)Nc2ccccc21
InChIInChI=1S/C15H19N3O/c1-10-6-5-7-11(2)18(10)17-14-12-8-3-4-9-13(12)16-15(14)19/h3-4,8-11H,5-7H2,1-2H3,(H,16,17,19)
InChIKeyXGRIKYKNBKRWJV-UHFFFAOYSA-N
XLogP2.61
TPSA44.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.34
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_isatin(189)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(2,6-dimethylpiperidin-1-yl)imino-1H-indol-2-one?
The IUPAC name of 3-(2,6-dimethylpiperidin-1-yl)imino-1H-indol-2-one (CID 135582235) is 3-(2,6-dimethylpiperidin-1-yl)imino-1H-indol-2-one.
What is the SMILES notation for 3-(2,6-dimethylpiperidin-1-yl)imino-1H-indol-2-one?
The canonical SMILES for 3-(2,6-dimethylpiperidin-1-yl)imino-1H-indol-2-one is CC1CCCC(C)N1N=C1C(=O)Nc2ccccc21.
What is the InChIKey of 3-(2,6-dimethylpiperidin-1-yl)imino-1H-indol-2-one?
The InChIKey is XGRIKYKNBKRWJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O/c1-10-6-5-7-11(2)18(10)17-14-12-8-3-4-9-13(12)16-15(14)19/h3-4,8-11H,5-7H2,1-2H3,(H,16,17,19).
What are the key properties of 3-(2,6-dimethylpiperidin-1-yl)imino-1H-indol-2-one?
3-(2,6-dimethylpiperidin-1-yl)imino-1H-indol-2-one has a molecular weight of 257.34 g/mol, XLogP of 2.61, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,6-dimethylpiperidin-1-yl)imino-1H-indol-2-one is sourced from PubChem (CID 135582235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).