3-ethyl-5-[(4-methylpiperazin-1-yl)methyl]-2,3-dihydro-1H-indole

C16H25N3 — CID 112721951

IUPAC3-ethyl-5-[(4-methylpiperazin-1-yl)methyl]-2,3-dihydro-1H-indole
SMILESCCC1CNc2ccc(CN3CCN(C)CC3)cc21
InChIInChI=1S/C16H25N3/c1-3-14-11-17-16-5-4-13(10-15(14)16)12-19-8-6-18(2)7-9-19/h4-5,10,14,17H,3,6-9,11-12H2,1-2H3
InChIKeyNMYGWAPUIGTIQM-UHFFFAOYSA-N
MW259.40 g/mol
LogP2.35
Rot. Bonds3

About 3-ethyl-5-[(4-methylpiperazin-1-yl)methyl]-2,3-dihydro-1H-indole

3-ethyl-5-[(4-methylpiperazin-1-yl)methyl]-2,3-dihydro-1H-indole (PubChem CID 112721951) has the molecular formula C16H25N3 and a molecular weight of 259.40 g/mol. Its IUPAC name is 3-ethyl-5-[(4-methylpiperazin-1-yl)methyl]-2,3-dihydro-1H-indole.

Molecular Properties

Compound Name3-ethyl-5-[(4-methylpiperazin-1-yl)methyl]-2,3-dihydro-1H-indole
PubChem CID112721951
Molecular FormulaC16H25N3
Molecular Weight259.40 g/mol
Exact Mass259.20
IUPAC Name3-ethyl-5-[(4-methylpiperazin-1-yl)methyl]-2,3-dihydro-1H-indole
SMILESCCC1CNc2ccc(CN3CCN(C)CC3)cc21
InChIInChI=1S/C16H25N3/c1-3-14-11-17-16-5-4-13(10-15(14)16)12-19-8-6-18(2)7-9-19/h4-5,10,14,17H,3,6-9,11-12H2,1-2H3
InChIKeyNMYGWAPUIGTIQM-UHFFFAOYSA-N
XLogP2.35
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 ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-ethyl-5-[(4-methylpiperazin-1-yl)methyl]-2,3-dihydro-1H-indole with MolForge

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

Launch Full Analysis

Related Compounds

6-[(4-methylpiperazin-1-yl)methyl]-1,2,3,4-tetrahydroquinoline
CID 28776130
2-cyclopropyl-4-[(4-methylpiperazin-1-yl)methyl]aniline
CID 176916654
1-[(4-ethylphenyl)methyl]-4-methylpiperazine
CID 785815
7-[(4-methylpiperazin-1-yl)methyl]-1,2,3,4-tetrahydroquinoline
CID 115104347
1-[(3,4-dimethylphenyl)methyl]-4-methylpiperazine
CID 71214328
1,2-diethyl-6-[(4-methylpiperazin-1-yl)methyl]-3,4-dihydro-1H-isoquinoline
CID 112721608
(3R)-3-ethyl-2,3-dihydro-1H-indole
CID 92797412
2-ethyl-3-methyl-6-[(4-methylpiperazin-1-yl)methyl]-3,4-dihydro-1H-isoquinoline
CID 112721593
6-[(4-propylpiperazin-1-yl)methyl]-1,2,3,4-tetrahydroquinoline
CID 28776065
5-[(4-propylpiperazin-1-yl)methyl]-2,3-dihydro-1H-isoindole
CID 103997998
1-methyl-4-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]piperazine
CID 141348331
1-[(4-ethyl-3-propylphenyl)methyl]-4-methylpiperazine
CID 134548287

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-5-[(4-methylpiperazin-1-yl)methyl]-2,3-dihydro-1H-indole?
The IUPAC name of 3-ethyl-5-[(4-methylpiperazin-1-yl)methyl]-2,3-dihydro-1H-indole (CID 112721951) is 3-ethyl-5-[(4-methylpiperazin-1-yl)methyl]-2,3-dihydro-1H-indole.
What is the SMILES notation for 3-ethyl-5-[(4-methylpiperazin-1-yl)methyl]-2,3-dihydro-1H-indole?
The canonical SMILES for 3-ethyl-5-[(4-methylpiperazin-1-yl)methyl]-2,3-dihydro-1H-indole is CCC1CNc2ccc(CN3CCN(C)CC3)cc21.
What is the InChIKey of 3-ethyl-5-[(4-methylpiperazin-1-yl)methyl]-2,3-dihydro-1H-indole?
The InChIKey is NMYGWAPUIGTIQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3/c1-3-14-11-17-16-5-4-13(10-15(14)16)12-19-8-6-18(2)7-9-19/h4-5,10,14,17H,3,6-9,11-12H2,1-2H3.
What are the key properties of 3-ethyl-5-[(4-methylpiperazin-1-yl)methyl]-2,3-dihydro-1H-indole?
3-ethyl-5-[(4-methylpiperazin-1-yl)methyl]-2,3-dihydro-1H-indole has a molecular weight of 259.40 g/mol, XLogP of 2.35, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-5-[(4-methylpiperazin-1-yl)methyl]-2,3-dihydro-1H-indole is sourced from PubChem (CID 112721951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).