6-(4,4-dimethylpiperidin-1-yl)-3-(ethylamino)-1,3-dihydroindol-2-one

C17H25N3O — CID 62936578

IUPAC6-(4,4-dimethylpiperidin-1-yl)-3-(ethylamino)-1,3-dihydroindol-2-one
SMILESCCNC1C(=O)Nc2cc(N3CCC(C)(C)CC3)ccc21
InChIInChI=1S/C17H25N3O/c1-4-18-15-13-6-5-12(11-14(13)19-16(15)21)20-9-7-17(2,3)8-10-20/h5-6,11,15,18H,4,7-10H2,1-3H3,(H,19,21)
InChIKeyJBDFJOFRGGZCOL-UHFFFAOYSA-N
MW287.41 g/mol
LogP2.92
Rot. Bonds3

About 6-(4,4-dimethylpiperidin-1-yl)-3-(ethylamino)-1,3-dihydroindol-2-one

6-(4,4-dimethylpiperidin-1-yl)-3-(ethylamino)-1,3-dihydroindol-2-one (PubChem CID 62936578) has the molecular formula C17H25N3O and a molecular weight of 287.41 g/mol. Its IUPAC name is 6-(4,4-dimethylpiperidin-1-yl)-3-(ethylamino)-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name6-(4,4-dimethylpiperidin-1-yl)-3-(ethylamino)-1,3-dihydroindol-2-one
PubChem CID62936578
Molecular FormulaC17H25N3O
Molecular Weight287.41 g/mol
Exact Mass287.20
IUPAC Name6-(4,4-dimethylpiperidin-1-yl)-3-(ethylamino)-1,3-dihydroindol-2-one
SMILESCCNC1C(=O)Nc2cc(N3CCC(C)(C)CC3)ccc21
InChIInChI=1S/C17H25N3O/c1-4-18-15-13-6-5-12(11-14(13)19-16(15)21)20-9-7-17(2,3)8-10-20/h5-6,11,15,18H,4,7-10H2,1-3H3,(H,19,21)
InChIKeyJBDFJOFRGGZCOL-UHFFFAOYSA-N
XLogP2.92
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.41
LogP ≤ 52.92
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 6-(4,4-dimethylpiperidin-1-yl)-3-(ethylamino)-1,3-dihydroindol-2-one?
The IUPAC name of 6-(4,4-dimethylpiperidin-1-yl)-3-(ethylamino)-1,3-dihydroindol-2-one (CID 62936578) is 6-(4,4-dimethylpiperidin-1-yl)-3-(ethylamino)-1,3-dihydroindol-2-one.
What is the SMILES notation for 6-(4,4-dimethylpiperidin-1-yl)-3-(ethylamino)-1,3-dihydroindol-2-one?
The canonical SMILES for 6-(4,4-dimethylpiperidin-1-yl)-3-(ethylamino)-1,3-dihydroindol-2-one is CCNC1C(=O)Nc2cc(N3CCC(C)(C)CC3)ccc21.
What is the InChIKey of 6-(4,4-dimethylpiperidin-1-yl)-3-(ethylamino)-1,3-dihydroindol-2-one?
The InChIKey is JBDFJOFRGGZCOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O/c1-4-18-15-13-6-5-12(11-14(13)19-16(15)21)20-9-7-17(2,3)8-10-20/h5-6,11,15,18H,4,7-10H2,1-3H3,(H,19,21).
What are the key properties of 6-(4,4-dimethylpiperidin-1-yl)-3-(ethylamino)-1,3-dihydroindol-2-one?
6-(4,4-dimethylpiperidin-1-yl)-3-(ethylamino)-1,3-dihydroindol-2-one has a molecular weight of 287.41 g/mol, XLogP of 2.92, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4,4-dimethylpiperidin-1-yl)-3-(ethylamino)-1,3-dihydroindol-2-one is sourced from PubChem (CID 62936578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).