2-(1,3-dioxo-2-azaspiro[4.4]nonan-2-yl)-N-[2-(6-fluoroindol-1-yl)ethyl]acetamide

C20H22FN3O3 — CID 86206946

IUPAC2-(1,3-dioxo-2-azaspiro[4.4]nonan-2-yl)-N-[2-(6-fluoroindol-1-yl)ethyl]acetamide
SMILESO=C(CN1C(=O)CC2(CCCC2)C1=O)NCCn1ccc2ccc(F)cc21
InChIInChI=1S/C20H22FN3O3/c21-15-4-3-14-5-9-23(16(14)11-15)10-8-22-17(25)13-24-18(26)12-20(19(24)27)6-1-2-7-20/h3-5,9,11H,1-2,6-8,10,12-13H2,(H,22,25)
InChIKeyFSHPRRKGPNKAKB-UHFFFAOYSA-N
MW371.41 g/mol
LogP2.22
Rot. Bonds5

About 2-(1,3-dioxo-2-azaspiro[4.4]nonan-2-yl)-N-[2-(6-fluoroindol-1-yl)ethyl]acetamide

2-(1,3-dioxo-2-azaspiro[4.4]nonan-2-yl)-N-[2-(6-fluoroindol-1-yl)ethyl]acetamide (PubChem CID 86206946) has the molecular formula C20H22FN3O3 and a molecular weight of 371.41 g/mol. Its IUPAC name is 2-(1,3-dioxo-2-azaspiro[4.4]nonan-2-yl)-N-[2-(6-fluoroindol-1-yl)ethyl]acetamide.

Molecular Properties

Compound Name2-(1,3-dioxo-2-azaspiro[4.4]nonan-2-yl)-N-[2-(6-fluoroindol-1-yl)ethyl]acetamide
PubChem CID86206946
Molecular FormulaC20H22FN3O3
Molecular Weight371.41 g/mol
Exact Mass371.16
IUPAC Name2-(1,3-dioxo-2-azaspiro[4.4]nonan-2-yl)-N-[2-(6-fluoroindol-1-yl)ethyl]acetamide
SMILESO=C(CN1C(=O)CC2(CCCC2)C1=O)NCCn1ccc2ccc(F)cc21
InChIInChI=1S/C20H22FN3O3/c21-15-4-3-14-5-9-23(16(14)11-15)10-8-22-17(25)13-24-18(26)12-20(19(24)27)6-1-2-7-20/h3-5,9,11H,1-2,6-8,10,12-13H2,(H,22,25)
InChIKeyFSHPRRKGPNKAKB-UHFFFAOYSA-N
XLogP2.22
TPSA71.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.41
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(1,3-dioxo-2-azaspiro[4.4]nonan-2-yl)-N-[2-(6-fluoroindol-1-yl)ethyl]acetamide?
The IUPAC name of 2-(1,3-dioxo-2-azaspiro[4.4]nonan-2-yl)-N-[2-(6-fluoroindol-1-yl)ethyl]acetamide (CID 86206946) is 2-(1,3-dioxo-2-azaspiro[4.4]nonan-2-yl)-N-[2-(6-fluoroindol-1-yl)ethyl]acetamide.
What is the SMILES notation for 2-(1,3-dioxo-2-azaspiro[4.4]nonan-2-yl)-N-[2-(6-fluoroindol-1-yl)ethyl]acetamide?
The canonical SMILES for 2-(1,3-dioxo-2-azaspiro[4.4]nonan-2-yl)-N-[2-(6-fluoroindol-1-yl)ethyl]acetamide is O=C(CN1C(=O)CC2(CCCC2)C1=O)NCCn1ccc2ccc(F)cc21.
What is the InChIKey of 2-(1,3-dioxo-2-azaspiro[4.4]nonan-2-yl)-N-[2-(6-fluoroindol-1-yl)ethyl]acetamide?
The InChIKey is FSHPRRKGPNKAKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22FN3O3/c21-15-4-3-14-5-9-23(16(14)11-15)10-8-22-17(25)13-24-18(26)12-20(19(24)27)6-1-2-7-20/h3-5,9,11H,1-2,6-8,10,12-13H2,(H,22,25).
What are the key properties of 2-(1,3-dioxo-2-azaspiro[4.4]nonan-2-yl)-N-[2-(6-fluoroindol-1-yl)ethyl]acetamide?
2-(1,3-dioxo-2-azaspiro[4.4]nonan-2-yl)-N-[2-(6-fluoroindol-1-yl)ethyl]acetamide has a molecular weight of 371.41 g/mol, XLogP of 2.22, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-dioxo-2-azaspiro[4.4]nonan-2-yl)-N-[2-(6-fluoroindol-1-yl)ethyl]acetamide is sourced from PubChem (CID 86206946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).