2-[3-(aminomethyl)indol-1-yl]-1-(4-methylpiperazin-1-yl)ethanone

C16H22N4O — CID 66409685

IUPAC2-[3-(aminomethyl)indol-1-yl]-1-(4-methylpiperazin-1-yl)ethanone
SMILESCN1CCN(C(=O)Cn2cc(CN)c3ccccc32)CC1
InChIInChI=1S/C16H22N4O/c1-18-6-8-19(9-7-18)16(21)12-20-11-13(10-17)14-4-2-3-5-15(14)20/h2-5,11H,6-10,12,17H2,1H3
InChIKeyWUOPAEWHNKPHPC-UHFFFAOYSA-N
MW286.38 g/mol
LogP0.87
Rot. Bonds3

About 2-[3-(aminomethyl)indol-1-yl]-1-(4-methylpiperazin-1-yl)ethanone

2-[3-(aminomethyl)indol-1-yl]-1-(4-methylpiperazin-1-yl)ethanone (PubChem CID 66409685) has the molecular formula C16H22N4O and a molecular weight of 286.38 g/mol. Its IUPAC name is 2-[3-(aminomethyl)indol-1-yl]-1-(4-methylpiperazin-1-yl)ethanone.

Molecular Properties

Compound Name2-[3-(aminomethyl)indol-1-yl]-1-(4-methylpiperazin-1-yl)ethanone
PubChem CID66409685
Molecular FormulaC16H22N4O
Molecular Weight286.38 g/mol
Exact Mass286.18
IUPAC Name2-[3-(aminomethyl)indol-1-yl]-1-(4-methylpiperazin-1-yl)ethanone
SMILESCN1CCN(C(=O)Cn2cc(CN)c3ccccc32)CC1
InChIInChI=1S/C16H22N4O/c1-18-6-8-19(9-7-18)16(21)12-20-11-13(10-17)14-4-2-3-5-15(14)20/h2-5,11H,6-10,12,17H2,1H3
InChIKeyWUOPAEWHNKPHPC-UHFFFAOYSA-N
XLogP0.87
TPSA54.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(aminomethyl)indol-1-yl]-1-(4-methylpiperazin-1-yl)ethanone?
The IUPAC name of 2-[3-(aminomethyl)indol-1-yl]-1-(4-methylpiperazin-1-yl)ethanone (CID 66409685) is 2-[3-(aminomethyl)indol-1-yl]-1-(4-methylpiperazin-1-yl)ethanone.
What is the SMILES notation for 2-[3-(aminomethyl)indol-1-yl]-1-(4-methylpiperazin-1-yl)ethanone?
The canonical SMILES for 2-[3-(aminomethyl)indol-1-yl]-1-(4-methylpiperazin-1-yl)ethanone is CN1CCN(C(=O)Cn2cc(CN)c3ccccc32)CC1.
What is the InChIKey of 2-[3-(aminomethyl)indol-1-yl]-1-(4-methylpiperazin-1-yl)ethanone?
The InChIKey is WUOPAEWHNKPHPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O/c1-18-6-8-19(9-7-18)16(21)12-20-11-13(10-17)14-4-2-3-5-15(14)20/h2-5,11H,6-10,12,17H2,1H3.
What are the key properties of 2-[3-(aminomethyl)indol-1-yl]-1-(4-methylpiperazin-1-yl)ethanone?
2-[3-(aminomethyl)indol-1-yl]-1-(4-methylpiperazin-1-yl)ethanone has a molecular weight of 286.38 g/mol, XLogP of 0.87, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(aminomethyl)indol-1-yl]-1-(4-methylpiperazin-1-yl)ethanone is sourced from PubChem (CID 66409685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).