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

C16H21N3O — CID 66407285

IUPAC2-[3-(aminomethyl)indol-1-yl]-1-piperidin-1-ylethanone
SMILESNCc1cn(CC(=O)N2CCCCC2)c2ccccc12
InChIInChI=1S/C16H21N3O/c17-10-13-11-19(15-7-3-2-6-14(13)15)12-16(20)18-8-4-1-5-9-18/h2-3,6-7,11H,1,4-5,8-10,12,17H2
InChIKeyXOUAZTIOOMVRQY-UHFFFAOYSA-N
MW271.36 g/mol
LogP2.11
Rot. Bonds3

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

2-[3-(aminomethyl)indol-1-yl]-1-piperidin-1-ylethanone (PubChem CID 66407285) has the molecular formula C16H21N3O and a molecular weight of 271.36 g/mol. Its IUPAC name is 2-[3-(aminomethyl)indol-1-yl]-1-piperidin-1-ylethanone.

Molecular Properties

Compound Name2-[3-(aminomethyl)indol-1-yl]-1-piperidin-1-ylethanone
PubChem CID66407285
Molecular FormulaC16H21N3O
Molecular Weight271.36 g/mol
Exact Mass271.17
IUPAC Name2-[3-(aminomethyl)indol-1-yl]-1-piperidin-1-ylethanone
SMILESNCc1cn(CC(=O)N2CCCCC2)c2ccccc12
InChIInChI=1S/C16H21N3O/c17-10-13-11-19(15-7-3-2-6-14(13)15)12-16(20)18-8-4-1-5-9-18/h2-3,6-7,11H,1,4-5,8-10,12,17H2
InChIKeyXOUAZTIOOMVRQY-UHFFFAOYSA-N
XLogP2.11
TPSA51.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[3-(aminomethyl)indol-1-yl]-1-(4-methylpiperazin-1-yl)ethanone
CID 66409685
2-[3-(2-aminopropyl)indol-1-yl]-1-(azepan-1-yl)ethanone
CID 165344030
2-[3-(methylaminomethyl)indol-1-yl]-1-piperidin-1-ylethanone
CID 66408650
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-methylindol-1-yl)-1-piperidin-1-ylethanone
CID 49371096
1-(azepan-1-yl)-2-(3-benzylsulfonylindol-1-yl)ethanone
CID 20902787
1-(azepan-1-yl)-2-[3-[2-(azepan-1-yl)-2-oxoethyl]sulfonylindol-1-yl]ethanone
CID 18563563
2,2-dimethyl-1-[1-(2-oxo-2-piperidin-1-ylethyl)indol-3-yl]propan-1-one
CID 1095445
2-[3-[2-(azepan-1-yl)-2-oxoethyl]sulfonylindol-1-yl]-1-piperidin-1-ylethanone
CID 18563468
2-[3-(cyclohexanecarbonyl)indol-1-yl]-1-pyrrolidin-1-ylethanone
CID 654893
1-(azepan-1-yl)-2-[3-(naphthalen-1-ylmethylsulfanyl)indol-1-yl]ethanone
CID 18563345

Frequently Asked Questions

What is the IUPAC name of 2-[3-(aminomethyl)indol-1-yl]-1-piperidin-1-ylethanone?
The IUPAC name of 2-[3-(aminomethyl)indol-1-yl]-1-piperidin-1-ylethanone (CID 66407285) is 2-[3-(aminomethyl)indol-1-yl]-1-piperidin-1-ylethanone.
What is the SMILES notation for 2-[3-(aminomethyl)indol-1-yl]-1-piperidin-1-ylethanone?
The canonical SMILES for 2-[3-(aminomethyl)indol-1-yl]-1-piperidin-1-ylethanone is NCc1cn(CC(=O)N2CCCCC2)c2ccccc12.
What is the InChIKey of 2-[3-(aminomethyl)indol-1-yl]-1-piperidin-1-ylethanone?
The InChIKey is XOUAZTIOOMVRQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O/c17-10-13-11-19(15-7-3-2-6-14(13)15)12-16(20)18-8-4-1-5-9-18/h2-3,6-7,11H,1,4-5,8-10,12,17H2.
What are the key properties of 2-[3-(aminomethyl)indol-1-yl]-1-piperidin-1-ylethanone?
2-[3-(aminomethyl)indol-1-yl]-1-piperidin-1-ylethanone has a molecular weight of 271.36 g/mol, XLogP of 2.11, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(aminomethyl)indol-1-yl]-1-piperidin-1-ylethanone is sourced from PubChem (CID 66407285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).