3-piperidin-1-ylimino-1H-indol-2-one

C13H15N3O — CID 135553979

IUPAC3-piperidin-1-ylimino-1H-indol-2-one
SMILESO=C1Nc2ccccc2C1=NN1CCCCC1
InChIInChI=1S/C13H15N3O/c17-13-12(15-16-8-4-1-5-9-16)10-6-2-3-7-11(10)14-13/h2-3,6-7H,1,4-5,8-9H2,(H,14,15,17)
InChIKeyCUDIZJJXEKJQAE-UHFFFAOYSA-N
MW229.28 g/mol
LogP1.83
Rot. Bonds1

About 3-piperidin-1-ylimino-1H-indol-2-one

3-piperidin-1-ylimino-1H-indol-2-one (PubChem CID 135553979) has the molecular formula C13H15N3O and a molecular weight of 229.28 g/mol. Its IUPAC name is 3-piperidin-1-ylimino-1H-indol-2-one.

Molecular Properties

Compound Name3-piperidin-1-ylimino-1H-indol-2-one
PubChem CID135553979
Molecular FormulaC13H15N3O
Molecular Weight229.28 g/mol
Exact Mass229.12
IUPAC Name3-piperidin-1-ylimino-1H-indol-2-one
SMILESO=C1Nc2ccccc2C1=NN1CCCCC1
InChIInChI=1S/C13H15N3O/c17-13-12(15-16-8-4-1-5-9-16)10-6-2-3-7-11(10)14-13/h2-3,6-7H,1,4-5,8-9H2,(H,14,15,17)
InChIKeyCUDIZJJXEKJQAE-UHFFFAOYSA-N
XLogP1.83
TPSA44.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 51.83
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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Related Compounds

Oxindole
CID 321710
Indolidan
CID 5284402
3-(4-Methylanilino)indol-2-one
CID 135412515
2-Indolinone, 3-(phenylimino)-
CID 135442567
3-(diphenylhydrazinylidene)-1,3-dihydro-2H-indol-2-one
CID 135439090
(3Z)-3-{[3-(trifluoromethyl)phenyl]imino}-1,3-dihydro-2H-indol-2-one
CID 135411930
Spiro(indoline-3,4'-piperidin)-2-one, 1'-ethyl-
CID 3042076
3-(Biphenyl-2-ylamino)-2h-indol-2-one
CID 135478723
(3Z)-3-[(2,4,6-trimethylphenyl)imino]-1,3-dihydro-2H-indol-2-one
CID 135406219
3-(4-Fluoroanilino)indol-2-one
CID 135478724
5-(6-oxo-4,5-dihydro-1H-pyridazin-3-yl)spiro[1H-indole-3,1'-cyclobutane]-2-one
CID 13728294
1,3,3-trimethyl-5-(6-oxo-4,5-dihydro-1H-pyridazin-3-yl)indol-2-one
CID 13785415

Frequently Asked Questions

What is the IUPAC name of 3-piperidin-1-ylimino-1H-indol-2-one?
The IUPAC name of 3-piperidin-1-ylimino-1H-indol-2-one (CID 135553979) is 3-piperidin-1-ylimino-1H-indol-2-one.
What is the SMILES notation for 3-piperidin-1-ylimino-1H-indol-2-one?
The canonical SMILES for 3-piperidin-1-ylimino-1H-indol-2-one is O=C1Nc2ccccc2C1=NN1CCCCC1.
What is the InChIKey of 3-piperidin-1-ylimino-1H-indol-2-one?
The InChIKey is CUDIZJJXEKJQAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O/c17-13-12(15-16-8-4-1-5-9-16)10-6-2-3-7-11(10)14-13/h2-3,6-7H,1,4-5,8-9H2,(H,14,15,17).
What are the key properties of 3-piperidin-1-ylimino-1H-indol-2-one?
3-piperidin-1-ylimino-1H-indol-2-one has a molecular weight of 229.28 g/mol, XLogP of 1.83, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-piperidin-1-ylimino-1H-indol-2-one is sourced from PubChem (CID 135553979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).