2-(2,3-dihydroindol-1-yl)-N-(2,5-dioxo-4-phenylpiperazin-1-yl)acetamide

C20H20N4O3 — CID 2817037

IUPAC2-(2,3-dihydroindol-1-yl)-N-(2,5-dioxo-4-phenylpiperazin-1-yl)acetamide
SMILESO=C(CN1CCc2ccccc21)NN1CC(=O)N(c2ccccc2)CC1=O
InChIInChI=1S/C20H20N4O3/c25-18(12-22-11-10-15-6-4-5-9-17(15)22)21-24-14-19(26)23(13-20(24)27)16-7-2-1-3-8-16/h1-9H,10-14H2,(H,21,25)
InChIKeyIFFBUMNWUKUHJB-UHFFFAOYSA-N
MW364.41 g/mol
LogP0.96
Rot. Bonds4

About 2-(2,3-dihydroindol-1-yl)-N-(2,5-dioxo-4-phenylpiperazin-1-yl)acetamide

2-(2,3-dihydroindol-1-yl)-N-(2,5-dioxo-4-phenylpiperazin-1-yl)acetamide (PubChem CID 2817037) has the molecular formula C20H20N4O3 and a molecular weight of 364.41 g/mol. Its IUPAC name is 2-(2,3-dihydroindol-1-yl)-N-(2,5-dioxo-4-phenylpiperazin-1-yl)acetamide.

Molecular Properties

Compound Name2-(2,3-dihydroindol-1-yl)-N-(2,5-dioxo-4-phenylpiperazin-1-yl)acetamide
PubChem CID2817037
Molecular FormulaC20H20N4O3
Molecular Weight364.41 g/mol
Exact Mass364.15
IUPAC Name2-(2,3-dihydroindol-1-yl)-N-(2,5-dioxo-4-phenylpiperazin-1-yl)acetamide
SMILESO=C(CN1CCc2ccccc21)NN1CC(=O)N(c2ccccc2)CC1=O
InChIInChI=1S/C20H20N4O3/c25-18(12-22-11-10-15-6-4-5-9-17(15)22)21-24-14-19(26)23(13-20(24)27)16-7-2-1-3-8-16/h1-9H,10-14H2,(H,21,25)
InChIKeyIFFBUMNWUKUHJB-UHFFFAOYSA-N
XLogP0.96
TPSA72.96 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.41
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dihydroindol-1-yl)-N-(2,5-dioxo-4-phenylpiperazin-1-yl)acetamide?
The IUPAC name of 2-(2,3-dihydroindol-1-yl)-N-(2,5-dioxo-4-phenylpiperazin-1-yl)acetamide (CID 2817037) is 2-(2,3-dihydroindol-1-yl)-N-(2,5-dioxo-4-phenylpiperazin-1-yl)acetamide.
What is the SMILES notation for 2-(2,3-dihydroindol-1-yl)-N-(2,5-dioxo-4-phenylpiperazin-1-yl)acetamide?
The canonical SMILES for 2-(2,3-dihydroindol-1-yl)-N-(2,5-dioxo-4-phenylpiperazin-1-yl)acetamide is O=C(CN1CCc2ccccc21)NN1CC(=O)N(c2ccccc2)CC1=O.
What is the InChIKey of 2-(2,3-dihydroindol-1-yl)-N-(2,5-dioxo-4-phenylpiperazin-1-yl)acetamide?
The InChIKey is IFFBUMNWUKUHJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O3/c25-18(12-22-11-10-15-6-4-5-9-17(15)22)21-24-14-19(26)23(13-20(24)27)16-7-2-1-3-8-16/h1-9H,10-14H2,(H,21,25).
What are the key properties of 2-(2,3-dihydroindol-1-yl)-N-(2,5-dioxo-4-phenylpiperazin-1-yl)acetamide?
2-(2,3-dihydroindol-1-yl)-N-(2,5-dioxo-4-phenylpiperazin-1-yl)acetamide has a molecular weight of 364.41 g/mol, XLogP of 0.96, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dihydroindol-1-yl)-N-(2,5-dioxo-4-phenylpiperazin-1-yl)acetamide is sourced from PubChem (CID 2817037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).