2-[4-(2,3-dihydro-1H-inden-2-yl)piperazin-1-yl]-N-(1-ethylindol-5-yl)-2-oxoacetamide

C25H28N4O2 — CID 166210920

IUPAC2-[4-(2,3-dihydro-1H-inden-2-yl)piperazin-1-yl]-N-(1-ethylindol-5-yl)-2-oxoacetamide
SMILESCCn1ccc2cc(NC(=O)C(=O)N3CCN(C4Cc5ccccc5C4)CC3)ccc21
InChIInChI=1S/C25H28N4O2/c1-2-27-10-9-20-15-21(7-8-23(20)27)26-24(30)25(31)29-13-11-28(12-14-29)22-16-18-5-3-4-6-19(18)17-22/h3-10,15,22H,2,11-14,16-17H2,1H3,(H,26,30)
InChIKeyJJTBUNDOWQVDQM-UHFFFAOYSA-N
MW416.53 g/mol
LogP2.91
Rot. Bonds3

About 2-[4-(2,3-dihydro-1H-inden-2-yl)piperazin-1-yl]-N-(1-ethylindol-5-yl)-2-oxoacetamide

2-[4-(2,3-dihydro-1H-inden-2-yl)piperazin-1-yl]-N-(1-ethylindol-5-yl)-2-oxoacetamide (PubChem CID 166210920) has the molecular formula C25H28N4O2 and a molecular weight of 416.53 g/mol. Its IUPAC name is 2-[4-(2,3-dihydro-1H-inden-2-yl)piperazin-1-yl]-N-(1-ethylindol-5-yl)-2-oxoacetamide.

Molecular Properties

Compound Name2-[4-(2,3-dihydro-1H-inden-2-yl)piperazin-1-yl]-N-(1-ethylindol-5-yl)-2-oxoacetamide
PubChem CID166210920
Molecular FormulaC25H28N4O2
Molecular Weight416.53 g/mol
Exact Mass416.22
IUPAC Name2-[4-(2,3-dihydro-1H-inden-2-yl)piperazin-1-yl]-N-(1-ethylindol-5-yl)-2-oxoacetamide
SMILESCCn1ccc2cc(NC(=O)C(=O)N3CCN(C4Cc5ccccc5C4)CC3)ccc21
InChIInChI=1S/C25H28N4O2/c1-2-27-10-9-20-15-21(7-8-23(20)27)26-24(30)25(31)29-13-11-28(12-14-29)22-16-18-5-3-4-6-19(18)17-22/h3-10,15,22H,2,11-14,16-17H2,1H3,(H,26,30)
InChIKeyJJTBUNDOWQVDQM-UHFFFAOYSA-N
XLogP2.91
TPSA57.58 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.53
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-[4-(2,3-dihydro-1H-inden-2-yl)piperazin-1-yl]-N-(1-ethylindol-5-yl)-2-oxoacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2,3-dihydro-1H-inden-2-yl)piperazin-1-yl]-N-(1-ethylindol-5-yl)-2-oxoacetamide?
The IUPAC name of 2-[4-(2,3-dihydro-1H-inden-2-yl)piperazin-1-yl]-N-(1-ethylindol-5-yl)-2-oxoacetamide (CID 166210920) is 2-[4-(2,3-dihydro-1H-inden-2-yl)piperazin-1-yl]-N-(1-ethylindol-5-yl)-2-oxoacetamide.
What is the SMILES notation for 2-[4-(2,3-dihydro-1H-inden-2-yl)piperazin-1-yl]-N-(1-ethylindol-5-yl)-2-oxoacetamide?
The canonical SMILES for 2-[4-(2,3-dihydro-1H-inden-2-yl)piperazin-1-yl]-N-(1-ethylindol-5-yl)-2-oxoacetamide is CCn1ccc2cc(NC(=O)C(=O)N3CCN(C4Cc5ccccc5C4)CC3)ccc21.
What is the InChIKey of 2-[4-(2,3-dihydro-1H-inden-2-yl)piperazin-1-yl]-N-(1-ethylindol-5-yl)-2-oxoacetamide?
The InChIKey is JJTBUNDOWQVDQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N4O2/c1-2-27-10-9-20-15-21(7-8-23(20)27)26-24(30)25(31)29-13-11-28(12-14-29)22-16-18-5-3-4-6-19(18)17-22/h3-10,15,22H,2,11-14,16-17H2,1H3,(H,26,30).
What are the key properties of 2-[4-(2,3-dihydro-1H-inden-2-yl)piperazin-1-yl]-N-(1-ethylindol-5-yl)-2-oxoacetamide?
2-[4-(2,3-dihydro-1H-inden-2-yl)piperazin-1-yl]-N-(1-ethylindol-5-yl)-2-oxoacetamide has a molecular weight of 416.53 g/mol, XLogP of 2.91, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2,3-dihydro-1H-inden-2-yl)piperazin-1-yl]-N-(1-ethylindol-5-yl)-2-oxoacetamide is sourced from PubChem (CID 166210920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).