5-amino-6-(3-ethylpiperidin-1-yl)-1,3-dihydroindol-2-one

C15H21N3O — CID 43584179

IUPAC5-amino-6-(3-ethylpiperidin-1-yl)-1,3-dihydroindol-2-one
SMILESCCC1CCCN(c2cc3c(cc2N)CC(=O)N3)C1
InChIInChI=1S/C15H21N3O/c1-2-10-4-3-5-18(9-10)14-8-13-11(6-12(14)16)7-15(19)17-13/h6,8,10H,2-5,7,9,16H2,1H3,(H,17,19)
InChIKeyNTUBHNXEEIMQMA-UHFFFAOYSA-N
MW259.35 g/mol
LogP2.39
Rot. Bonds2

About 5-amino-6-(3-ethylpiperidin-1-yl)-1,3-dihydroindol-2-one

5-amino-6-(3-ethylpiperidin-1-yl)-1,3-dihydroindol-2-one (PubChem CID 43584179) has the molecular formula C15H21N3O and a molecular weight of 259.35 g/mol. Its IUPAC name is 5-amino-6-(3-ethylpiperidin-1-yl)-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name5-amino-6-(3-ethylpiperidin-1-yl)-1,3-dihydroindol-2-one
PubChem CID43584179
Molecular FormulaC15H21N3O
Molecular Weight259.35 g/mol
Exact Mass259.17
IUPAC Name5-amino-6-(3-ethylpiperidin-1-yl)-1,3-dihydroindol-2-one
SMILESCCC1CCCN(c2cc3c(cc2N)CC(=O)N3)C1
InChIInChI=1S/C15H21N3O/c1-2-10-4-3-5-18(9-10)14-8-13-11(6-12(14)16)7-15(19)17-13/h6,8,10H,2-5,7,9,16H2,1H3,(H,17,19)
InChIKeyNTUBHNXEEIMQMA-UHFFFAOYSA-N
XLogP2.39
TPSA58.36 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 ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-amino-6-(3-ethylpiperidin-1-yl)-1,3-dihydroindol-2-one?
The IUPAC name of 5-amino-6-(3-ethylpiperidin-1-yl)-1,3-dihydroindol-2-one (CID 43584179) is 5-amino-6-(3-ethylpiperidin-1-yl)-1,3-dihydroindol-2-one.
What is the SMILES notation for 5-amino-6-(3-ethylpiperidin-1-yl)-1,3-dihydroindol-2-one?
The canonical SMILES for 5-amino-6-(3-ethylpiperidin-1-yl)-1,3-dihydroindol-2-one is CCC1CCCN(c2cc3c(cc2N)CC(=O)N3)C1.
What is the InChIKey of 5-amino-6-(3-ethylpiperidin-1-yl)-1,3-dihydroindol-2-one?
The InChIKey is NTUBHNXEEIMQMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O/c1-2-10-4-3-5-18(9-10)14-8-13-11(6-12(14)16)7-15(19)17-13/h6,8,10H,2-5,7,9,16H2,1H3,(H,17,19).
What are the key properties of 5-amino-6-(3-ethylpiperidin-1-yl)-1,3-dihydroindol-2-one?
5-amino-6-(3-ethylpiperidin-1-yl)-1,3-dihydroindol-2-one has a molecular weight of 259.35 g/mol, XLogP of 2.39, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-6-(3-ethylpiperidin-1-yl)-1,3-dihydroindol-2-one is sourced from PubChem (CID 43584179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).