5-bromo-3-(ethylamino)-6-piperidin-1-yl-1,3-dihydroindol-2-one

C15H20BrN3O — CID 79343706

IUPAC5-bromo-3-(ethylamino)-6-piperidin-1-yl-1,3-dihydroindol-2-one
SMILESCCNC1C(=O)Nc2cc(N3CCCCC3)c(Br)cc21
InChIInChI=1S/C15H20BrN3O/c1-2-17-14-10-8-11(16)13(9-12(10)18-15(14)20)19-6-4-3-5-7-19/h8-9,14,17H,2-7H2,1H3,(H,18,20)
InChIKeyKGXUGCMBPRYOAL-UHFFFAOYSA-N
MW338.25 g/mol
LogP3.04
Rot. Bonds3

About 5-bromo-3-(ethylamino)-6-piperidin-1-yl-1,3-dihydroindol-2-one

5-bromo-3-(ethylamino)-6-piperidin-1-yl-1,3-dihydroindol-2-one (PubChem CID 79343706) has the molecular formula C15H20BrN3O and a molecular weight of 338.25 g/mol. Its IUPAC name is 5-bromo-3-(ethylamino)-6-piperidin-1-yl-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name5-bromo-3-(ethylamino)-6-piperidin-1-yl-1,3-dihydroindol-2-one
PubChem CID79343706
Molecular FormulaC15H20BrN3O
Molecular Weight338.25 g/mol
Exact Mass337.08
IUPAC Name5-bromo-3-(ethylamino)-6-piperidin-1-yl-1,3-dihydroindol-2-one
SMILESCCNC1C(=O)Nc2cc(N3CCCCC3)c(Br)cc21
InChIInChI=1S/C15H20BrN3O/c1-2-17-14-10-8-11(16)13(9-12(10)18-15(14)20)19-6-4-3-5-7-19/h8-9,14,17H,2-7H2,1H3,(H,18,20)
InChIKeyKGXUGCMBPRYOAL-UHFFFAOYSA-N
XLogP3.04
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.25
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-(ethylamino)-6-piperidin-1-yl-1,3-dihydroindol-2-one?
The IUPAC name of 5-bromo-3-(ethylamino)-6-piperidin-1-yl-1,3-dihydroindol-2-one (CID 79343706) is 5-bromo-3-(ethylamino)-6-piperidin-1-yl-1,3-dihydroindol-2-one.
What is the SMILES notation for 5-bromo-3-(ethylamino)-6-piperidin-1-yl-1,3-dihydroindol-2-one?
The canonical SMILES for 5-bromo-3-(ethylamino)-6-piperidin-1-yl-1,3-dihydroindol-2-one is CCNC1C(=O)Nc2cc(N3CCCCC3)c(Br)cc21.
What is the InChIKey of 5-bromo-3-(ethylamino)-6-piperidin-1-yl-1,3-dihydroindol-2-one?
The InChIKey is KGXUGCMBPRYOAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20BrN3O/c1-2-17-14-10-8-11(16)13(9-12(10)18-15(14)20)19-6-4-3-5-7-19/h8-9,14,17H,2-7H2,1H3,(H,18,20).
What are the key properties of 5-bromo-3-(ethylamino)-6-piperidin-1-yl-1,3-dihydroindol-2-one?
5-bromo-3-(ethylamino)-6-piperidin-1-yl-1,3-dihydroindol-2-one has a molecular weight of 338.25 g/mol, XLogP of 3.04, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3-(ethylamino)-6-piperidin-1-yl-1,3-dihydroindol-2-one is sourced from PubChem (CID 79343706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).