2-(3-methylindol-1-yl)-1-piperidin-1-ylethanone

C16H20N2O — CID 49371096

IUPAC2-(3-methylindol-1-yl)-1-piperidin-1-ylethanone
SMILESCc1cn(CC(=O)N2CCCCC2)c2ccccc12
InChIInChI=1S/C16H20N2O/c1-13-11-18(15-8-4-3-7-14(13)15)12-16(19)17-9-5-2-6-10-17/h3-4,7-8,11H,2,5-6,9-10,12H2,1H3
InChIKeyAPMMNOSYZWNNNE-UHFFFAOYSA-N
MW256.35 g/mol
LogP2.96
Rot. Bonds2

About 2-(3-methylindol-1-yl)-1-piperidin-1-ylethanone

2-(3-methylindol-1-yl)-1-piperidin-1-ylethanone (PubChem CID 49371096) has the molecular formula C16H20N2O and a molecular weight of 256.35 g/mol. Its IUPAC name is 2-(3-methylindol-1-yl)-1-piperidin-1-ylethanone.

Molecular Properties

Compound Name2-(3-methylindol-1-yl)-1-piperidin-1-ylethanone
PubChem CID49371096
Molecular FormulaC16H20N2O
Molecular Weight256.35 g/mol
Exact Mass256.16
IUPAC Name2-(3-methylindol-1-yl)-1-piperidin-1-ylethanone
SMILESCc1cn(CC(=O)N2CCCCC2)c2ccccc12
InChIInChI=1S/C16H20N2O/c1-13-11-18(15-8-4-3-7-14(13)15)12-16(19)17-9-5-2-6-10-17/h3-4,7-8,11H,2,5-6,9-10,12H2,1H3
InChIKeyAPMMNOSYZWNNNE-UHFFFAOYSA-N
XLogP2.96
TPSA25.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-hydroxypiperidin-1-yl)-2-(3-methylindol-1-yl)ethanone
CID 110910723
1-[2-(azepan-1-yl)-2-oxoethyl]indole-3-carboxylic acid
CID 43825868
2-[3-(aminomethyl)indol-1-yl]-1-piperidin-1-ylethanone
CID 66407285
2,2-dimethyl-1-[1-(2-oxo-2-piperidin-1-ylethyl)indol-3-yl]propan-1-one
CID 1095445
2-[3-(methylaminomethyl)indol-1-yl]-1-piperidin-1-ylethanone
CID 66408650
2-(5-bromo-3-methylindol-1-yl)-1-pyrrolidin-1-ylethanone
CID 59397812
(2S)-4-[2-(3-methylindol-1-yl)acetyl]morpholine-2-carboxylic acid
CID 124698148
2-[3-(2-aminopropyl)indol-1-yl]-1-(azepan-1-yl)ethanone
CID 165344030
1-(azepan-1-yl)-2-[3-(5-methyl-1,3,4-oxadiazol-2-yl)indol-1-yl]ethanone
CID 53027989
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
2-[3-(cyclohexanecarbonyl)indol-1-yl]-1-pyrrolidin-1-ylethanone
CID 654893

Frequently Asked Questions

What is the IUPAC name of 2-(3-methylindol-1-yl)-1-piperidin-1-ylethanone?
The IUPAC name of 2-(3-methylindol-1-yl)-1-piperidin-1-ylethanone (CID 49371096) is 2-(3-methylindol-1-yl)-1-piperidin-1-ylethanone.
What is the SMILES notation for 2-(3-methylindol-1-yl)-1-piperidin-1-ylethanone?
The canonical SMILES for 2-(3-methylindol-1-yl)-1-piperidin-1-ylethanone is Cc1cn(CC(=O)N2CCCCC2)c2ccccc12.
What is the InChIKey of 2-(3-methylindol-1-yl)-1-piperidin-1-ylethanone?
The InChIKey is APMMNOSYZWNNNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O/c1-13-11-18(15-8-4-3-7-14(13)15)12-16(19)17-9-5-2-6-10-17/h3-4,7-8,11H,2,5-6,9-10,12H2,1H3.
What are the key properties of 2-(3-methylindol-1-yl)-1-piperidin-1-ylethanone?
2-(3-methylindol-1-yl)-1-piperidin-1-ylethanone has a molecular weight of 256.35 g/mol, XLogP of 2.96, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylindol-1-yl)-1-piperidin-1-ylethanone is sourced from PubChem (CID 49371096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).