2-[6-(methylaminomethyl)indol-1-yl]-1-piperidin-1-ylethanone

C17H23N3O — CID 102916558

IUPAC2-[6-(methylaminomethyl)indol-1-yl]-1-piperidin-1-ylethanone
SMILESCNCc1ccc2ccn(CC(=O)N3CCCCC3)c2c1
InChIInChI=1S/C17H23N3O/c1-18-12-14-5-6-15-7-10-20(16(15)11-14)13-17(21)19-8-3-2-4-9-19/h5-7,10-11,18H,2-4,8-9,12-13H2,1H3
InChIKeyAMMXHDFTXFTAAS-UHFFFAOYSA-N
MW285.39 g/mol
LogP2.37
Rot. Bonds4

About 2-[6-(methylaminomethyl)indol-1-yl]-1-piperidin-1-ylethanone

2-[6-(methylaminomethyl)indol-1-yl]-1-piperidin-1-ylethanone (PubChem CID 102916558) has the molecular formula C17H23N3O and a molecular weight of 285.39 g/mol. Its IUPAC name is 2-[6-(methylaminomethyl)indol-1-yl]-1-piperidin-1-ylethanone.

Molecular Properties

Compound Name2-[6-(methylaminomethyl)indol-1-yl]-1-piperidin-1-ylethanone
PubChem CID102916558
Molecular FormulaC17H23N3O
Molecular Weight285.39 g/mol
Exact Mass285.18
IUPAC Name2-[6-(methylaminomethyl)indol-1-yl]-1-piperidin-1-ylethanone
SMILESCNCc1ccc2ccn(CC(=O)N3CCCCC3)c2c1
InChIInChI=1S/C17H23N3O/c1-18-12-14-5-6-15-7-10-20(16(15)11-14)13-17(21)19-8-3-2-4-9-19/h5-7,10-11,18H,2-4,8-9,12-13H2,1H3
InChIKeyAMMXHDFTXFTAAS-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-[6-(ethylaminomethyl)indol-1-yl]-1-pyrrolidin-1-ylethanone
CID 102916734
1-(azepan-1-yl)-2-(6-bromoindol-1-yl)ethanone
CID 116622080
2-indol-1-yl-1-pyrrolidin-1-ylethanone
CID 5191246
2-[6-(methylaminomethyl)indol-1-yl]ethanol
CID 102916522
N-(1-methoxypropan-2-yl)-2-[6-(methylaminomethyl)indol-1-yl]acetamide
CID 102916591
2-[3-(methylaminomethyl)pyrrol-1-yl]-1-pyrrolidin-1-ylethanone
CID 66405103
2-(6-methylindol-1-yl)-1-(4-methylpiperazin-1-yl)ethanone
CID 116546775
2-(6-chloroindol-1-yl)-1-(4-methylpiperazin-1-yl)ethanone
CID 39036168
N-propan-2-yl-2-[6-[(propan-2-ylamino)methyl]indol-1-yl]acetamide
CID 102916880
1-(4-acetyl-1,4-diazepan-1-yl)-2-indol-1-ylethanone
CID 56817791
N-methyl-1-[1-(3-methylbut-3-enyl)indol-6-yl]methanamine
CID 114477146
(3R)-1-[2-(6-bromoindol-1-yl)acetyl]piperidine-3-carboxylic acid
CID 51972569

Frequently Asked Questions

What is the IUPAC name of 2-[6-(methylaminomethyl)indol-1-yl]-1-piperidin-1-ylethanone?
The IUPAC name of 2-[6-(methylaminomethyl)indol-1-yl]-1-piperidin-1-ylethanone (CID 102916558) is 2-[6-(methylaminomethyl)indol-1-yl]-1-piperidin-1-ylethanone.
What is the SMILES notation for 2-[6-(methylaminomethyl)indol-1-yl]-1-piperidin-1-ylethanone?
The canonical SMILES for 2-[6-(methylaminomethyl)indol-1-yl]-1-piperidin-1-ylethanone is CNCc1ccc2ccn(CC(=O)N3CCCCC3)c2c1.
What is the InChIKey of 2-[6-(methylaminomethyl)indol-1-yl]-1-piperidin-1-ylethanone?
The InChIKey is AMMXHDFTXFTAAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O/c1-18-12-14-5-6-15-7-10-20(16(15)11-14)13-17(21)19-8-3-2-4-9-19/h5-7,10-11,18H,2-4,8-9,12-13H2,1H3.
What are the key properties of 2-[6-(methylaminomethyl)indol-1-yl]-1-piperidin-1-ylethanone?
2-[6-(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-[6-(methylaminomethyl)indol-1-yl]-1-piperidin-1-ylethanone is sourced from PubChem (CID 102916558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).