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

C16H23N3O2 — CID 63370119

IUPAC3-(ethylamino)-6-(1-methylpiperidin-4-yl)oxy-1,3-dihydroindol-2-one
SMILESCCNC1C(=O)Nc2cc(OC3CCN(C)CC3)ccc21
InChIInChI=1S/C16H23N3O2/c1-3-17-15-13-5-4-12(10-14(13)18-16(15)20)21-11-6-8-19(2)9-7-11/h4-5,10-11,15,17H,3,6-9H2,1-2H3,(H,18,20)
InChIKeyFZWWWPLIIUOTPG-UHFFFAOYSA-N
MW289.38 g/mol
LogP1.76
Rot. Bonds4

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

3-(ethylamino)-6-(1-methylpiperidin-4-yl)oxy-1,3-dihydroindol-2-one (PubChem CID 63370119) has the molecular formula C16H23N3O2 and a molecular weight of 289.38 g/mol. Its IUPAC name is 3-(ethylamino)-6-(1-methylpiperidin-4-yl)oxy-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name3-(ethylamino)-6-(1-methylpiperidin-4-yl)oxy-1,3-dihydroindol-2-one
PubChem CID63370119
Molecular FormulaC16H23N3O2
Molecular Weight289.38 g/mol
Exact Mass289.18
IUPAC Name3-(ethylamino)-6-(1-methylpiperidin-4-yl)oxy-1,3-dihydroindol-2-one
SMILESCCNC1C(=O)Nc2cc(OC3CCN(C)CC3)ccc21
InChIInChI=1S/C16H23N3O2/c1-3-17-15-13-5-4-12(10-14(13)18-16(15)20)21-11-6-8-19(2)9-7-11/h4-5,10-11,15,17H,3,6-9H2,1-2H3,(H,18,20)
InChIKeyFZWWWPLIIUOTPG-UHFFFAOYSA-N
XLogP1.76
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(ethylamino)-6-(1-methylpiperidin-4-yl)oxy-1,3-dihydroindol-2-one?
The IUPAC name of 3-(ethylamino)-6-(1-methylpiperidin-4-yl)oxy-1,3-dihydroindol-2-one (CID 63370119) is 3-(ethylamino)-6-(1-methylpiperidin-4-yl)oxy-1,3-dihydroindol-2-one.
What is the SMILES notation for 3-(ethylamino)-6-(1-methylpiperidin-4-yl)oxy-1,3-dihydroindol-2-one?
The canonical SMILES for 3-(ethylamino)-6-(1-methylpiperidin-4-yl)oxy-1,3-dihydroindol-2-one is CCNC1C(=O)Nc2cc(OC3CCN(C)CC3)ccc21.
What is the InChIKey of 3-(ethylamino)-6-(1-methylpiperidin-4-yl)oxy-1,3-dihydroindol-2-one?
The InChIKey is FZWWWPLIIUOTPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O2/c1-3-17-15-13-5-4-12(10-14(13)18-16(15)20)21-11-6-8-19(2)9-7-11/h4-5,10-11,15,17H,3,6-9H2,1-2H3,(H,18,20).
What are the key properties of 3-(ethylamino)-6-(1-methylpiperidin-4-yl)oxy-1,3-dihydroindol-2-one?
3-(ethylamino)-6-(1-methylpiperidin-4-yl)oxy-1,3-dihydroindol-2-one has a molecular weight of 289.38 g/mol, XLogP of 1.76, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(ethylamino)-6-(1-methylpiperidin-4-yl)oxy-1,3-dihydroindol-2-one is sourced from PubChem (CID 63370119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).