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

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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).