1-ethyl-5-methyl-3-(piperazin-1-ylmethyl)-2,3-dihydroindole

C16H25N3 — CID 117201867

IUPAC1-ethyl-5-methyl-3-(piperazin-1-ylmethyl)-2,3-dihydroindole
SMILESCCN1CC(CN2CCNCC2)c2cc(C)ccc21
InChIInChI=1S/C16H25N3/c1-3-19-12-14(11-18-8-6-17-7-9-18)15-10-13(2)4-5-16(15)19/h4-5,10,14,17H,3,6-9,11-12H2,1-2H3
InChIKeyYBMBZCNLUIFQRG-UHFFFAOYSA-N
MW259.40 g/mol
LogP1.82
Rot. Bonds3

About 1-ethyl-5-methyl-3-(piperazin-1-ylmethyl)-2,3-dihydroindole

1-ethyl-5-methyl-3-(piperazin-1-ylmethyl)-2,3-dihydroindole (PubChem CID 117201867) has the molecular formula C16H25N3 and a molecular weight of 259.40 g/mol. Its IUPAC name is 1-ethyl-5-methyl-3-(piperazin-1-ylmethyl)-2,3-dihydroindole.

Molecular Properties

Compound Name1-ethyl-5-methyl-3-(piperazin-1-ylmethyl)-2,3-dihydroindole
PubChem CID117201867
Molecular FormulaC16H25N3
Molecular Weight259.40 g/mol
Exact Mass259.20
IUPAC Name1-ethyl-5-methyl-3-(piperazin-1-ylmethyl)-2,3-dihydroindole
SMILESCCN1CC(CN2CCNCC2)c2cc(C)ccc21
InChIInChI=1S/C16H25N3/c1-3-19-12-14(11-18-8-6-17-7-9-18)15-10-13(2)4-5-16(15)19/h4-5,10,14,17H,3,6-9,11-12H2,1-2H3
InChIKeyYBMBZCNLUIFQRG-UHFFFAOYSA-N
XLogP1.82
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.40
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-ethyl-5-methyl-3-(piperazin-1-ylmethyl)-2,3-dihydroindole 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 1-ethyl-5-methyl-3-(piperazin-1-ylmethyl)-2,3-dihydroindole?
The IUPAC name of 1-ethyl-5-methyl-3-(piperazin-1-ylmethyl)-2,3-dihydroindole (CID 117201867) is 1-ethyl-5-methyl-3-(piperazin-1-ylmethyl)-2,3-dihydroindole.
What is the SMILES notation for 1-ethyl-5-methyl-3-(piperazin-1-ylmethyl)-2,3-dihydroindole?
The canonical SMILES for 1-ethyl-5-methyl-3-(piperazin-1-ylmethyl)-2,3-dihydroindole is CCN1CC(CN2CCNCC2)c2cc(C)ccc21.
What is the InChIKey of 1-ethyl-5-methyl-3-(piperazin-1-ylmethyl)-2,3-dihydroindole?
The InChIKey is YBMBZCNLUIFQRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3/c1-3-19-12-14(11-18-8-6-17-7-9-18)15-10-13(2)4-5-16(15)19/h4-5,10,14,17H,3,6-9,11-12H2,1-2H3.
What are the key properties of 1-ethyl-5-methyl-3-(piperazin-1-ylmethyl)-2,3-dihydroindole?
1-ethyl-5-methyl-3-(piperazin-1-ylmethyl)-2,3-dihydroindole has a molecular weight of 259.40 g/mol, XLogP of 1.82, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-5-methyl-3-(piperazin-1-ylmethyl)-2,3-dihydroindole is sourced from PubChem (CID 117201867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).