2-[3-(methylaminomethyl)indol-1-yl]-1-piperidin-1-ylethanone

C17H23N3O — CID 66408650

IUPAC2-[3-(methylaminomethyl)indol-1-yl]-1-piperidin-1-ylethanone
SMILESCNCc1cn(CC(=O)N2CCCCC2)c2ccccc12
InChIInChI=1S/C17H23N3O/c1-18-11-14-12-20(16-8-4-3-7-15(14)16)13-17(21)19-9-5-2-6-10-19/h3-4,7-8,12,18H,2,5-6,9-11,13H2,1H3
InChIKeyGEDCUEXTQZYUKY-UHFFFAOYSA-N
MW285.39 g/mol
LogP2.37
Rot. Bonds4

About 2-[3-(methylaminomethyl)indol-1-yl]-1-piperidin-1-ylethanone

2-[3-(methylaminomethyl)indol-1-yl]-1-piperidin-1-ylethanone (PubChem CID 66408650) has the molecular formula C17H23N3O and a molecular weight of 285.39 g/mol. Its IUPAC name is 2-[3-(methylaminomethyl)indol-1-yl]-1-piperidin-1-ylethanone.

Molecular Properties

Compound Name2-[3-(methylaminomethyl)indol-1-yl]-1-piperidin-1-ylethanone
PubChem CID66408650
Molecular FormulaC17H23N3O
Molecular Weight285.39 g/mol
Exact Mass285.18
IUPAC Name2-[3-(methylaminomethyl)indol-1-yl]-1-piperidin-1-ylethanone
SMILESCNCc1cn(CC(=O)N2CCCCC2)c2ccccc12
InChIInChI=1S/C17H23N3O/c1-18-11-14-12-20(16-8-4-3-7-15(14)16)13-17(21)19-9-5-2-6-10-19/h3-4,7-8,12,18H,2,5-6,9-11,13H2,1H3
InChIKeyGEDCUEXTQZYUKY-UHFFFAOYSA-N
XLogP2.37
TPSA37.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[3-(aminomethyl)indol-1-yl]-1-piperidin-1-ylethanone
CID 66407285
2-[3-(2-aminopropyl)indol-1-yl]-1-(azepan-1-yl)ethanone
CID 165344030
2-(3-methylindol-1-yl)-1-piperidin-1-ylethanone
CID 49371096
2-[3-(2-aminopropyl)indol-1-yl]-1-pyrrolidin-1-ylethanone
CID 170891339
1-[2-(azepan-1-yl)-2-oxoethyl]indole-3-carboxylic acid
CID 43825868
2-[3-(aminomethyl)indol-1-yl]-1-(4-methylpiperazin-1-yl)ethanone
CID 66409685
2,2-dimethyl-1-[1-(2-oxo-2-piperidin-1-ylethyl)indol-3-yl]propan-1-one
CID 1095445
2-[1-[2-(azepan-1-yl)-2-oxoethyl]indol-3-yl]sulfanylacetonitrile
CID 18563347
N-methyl-2-[1-(2-oxo-2-pyrrolidin-1-ylethyl)indol-3-yl]sulfanylacetamide
CID 20902440
N,N-diethyl-2-[3-(methylaminomethyl)indol-1-yl]acetamide
CID 66408422
1-(azepan-1-yl)-2-[3-[2-(azepan-1-yl)-2-oxoethyl]sulfonylindol-1-yl]ethanone
CID 18563563
2-[3-[2-(azepan-1-yl)-2-oxoethyl]sulfonylindol-1-yl]-1-piperidin-1-ylethanone
CID 18563468

Frequently Asked Questions

What is the IUPAC name of 2-[3-(methylaminomethyl)indol-1-yl]-1-piperidin-1-ylethanone?
The IUPAC name of 2-[3-(methylaminomethyl)indol-1-yl]-1-piperidin-1-ylethanone (CID 66408650) is 2-[3-(methylaminomethyl)indol-1-yl]-1-piperidin-1-ylethanone.
What is the SMILES notation for 2-[3-(methylaminomethyl)indol-1-yl]-1-piperidin-1-ylethanone?
The canonical SMILES for 2-[3-(methylaminomethyl)indol-1-yl]-1-piperidin-1-ylethanone is CNCc1cn(CC(=O)N2CCCCC2)c2ccccc12.
What is the InChIKey of 2-[3-(methylaminomethyl)indol-1-yl]-1-piperidin-1-ylethanone?
The InChIKey is GEDCUEXTQZYUKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O/c1-18-11-14-12-20(16-8-4-3-7-15(14)16)13-17(21)19-9-5-2-6-10-19/h3-4,7-8,12,18H,2,5-6,9-11,13H2,1H3.
What are the key properties of 2-[3-(methylaminomethyl)indol-1-yl]-1-piperidin-1-ylethanone?
2-[3-(methylaminomethyl)indol-1-yl]-1-piperidin-1-ylethanone has a molecular weight of 285.39 g/mol, XLogP of 2.37, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(methylaminomethyl)indol-1-yl]-1-piperidin-1-ylethanone is sourced from PubChem (CID 66408650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).