2-(1,2-dimethylindol-3-yl)-1-piperidin-1-ylethanone

C17H22N2O — CID 110768819

IUPAC2-(1,2-dimethylindol-3-yl)-1-piperidin-1-ylethanone
SMILESCc1c(CC(=O)N2CCCCC2)c2ccccc2n1C
InChIInChI=1S/C17H22N2O/c1-13-15(12-17(20)19-10-6-3-7-11-19)14-8-4-5-9-16(14)18(13)2/h4-5,8-9H,3,6-7,10-12H2,1-2H3
InChIKeyZAZGMBQIOXUXMI-UHFFFAOYSA-N
MW270.38 g/mol
LogP3.04
Rot. Bonds2

About 2-(1,2-dimethylindol-3-yl)-1-piperidin-1-ylethanone

2-(1,2-dimethylindol-3-yl)-1-piperidin-1-ylethanone (PubChem CID 110768819) has the molecular formula C17H22N2O and a molecular weight of 270.38 g/mol. Its IUPAC name is 2-(1,2-dimethylindol-3-yl)-1-piperidin-1-ylethanone.

Molecular Properties

Compound Name2-(1,2-dimethylindol-3-yl)-1-piperidin-1-ylethanone
PubChem CID110768819
Molecular FormulaC17H22N2O
Molecular Weight270.38 g/mol
Exact Mass270.17
IUPAC Name2-(1,2-dimethylindol-3-yl)-1-piperidin-1-ylethanone
SMILESCc1c(CC(=O)N2CCCCC2)c2ccccc2n1C
InChIInChI=1S/C17H22N2O/c1-13-15(12-17(20)19-10-6-3-7-11-19)14-8-4-5-9-16(14)18(13)2/h4-5,8-9H,3,6-7,10-12H2,1-2H3
InChIKeyZAZGMBQIOXUXMI-UHFFFAOYSA-N
XLogP3.04
TPSA25.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.38
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Related Compounds

1-[4-[2-(1,2-dimethylindol-3-yl)acetyl]-1,4-diazepan-1-yl]-2-methylpropan-1-one
CID 110806360
1-[4-(cyclopropanecarbonyl)piperazin-1-yl]-2-(1,2-dimethylindol-3-yl)ethanone
CID 110800544
4-[2-(1,2-dimethylindol-3-yl)acetyl]-N-propan-2-yl-1,4-diazepane-1-carboxamide
CID 110813872
2-(1,2-dimethylindol-3-yl)-1-(4-methylsulfonylpiperazin-1-yl)ethanone
CID 110804596
N-tert-butyl-4-[2-(1,2-dimethylindol-3-yl)acetyl]piperazine-1-carboxamide
CID 110813029
2-(1,2-dimethylindol-3-yl)-1-(2-ethylpiperidin-1-yl)ethanone
CID 113211418
2-(1,2-dimethylindol-3-yl)acetamide
CID 67627690
3-[2-(azepan-1-yl)-2-oxoethyl]-1-ethylindole-2-carboxylic acid
CID 15999504
2-(1,2-dimethylindol-3-yl)-N-(4-pyrrolidin-1-ylphenyl)acetamide
CID 113211474
1-(azepan-1-yl)-2-(2-methyl-1H-indol-3-yl)ethanone
CID 31849728
1-(1,2-dimethylindol-3-yl)-2-pyrrolidin-1-ylethane-1,2-dione
CID 7087146
1-acetyl-N-[2-(1,2-dimethylindol-3-yl)ethyl]piperidine-4-carboxamide
CID 110795645

Frequently Asked Questions

What is the IUPAC name of 2-(1,2-dimethylindol-3-yl)-1-piperidin-1-ylethanone?
The IUPAC name of 2-(1,2-dimethylindol-3-yl)-1-piperidin-1-ylethanone (CID 110768819) is 2-(1,2-dimethylindol-3-yl)-1-piperidin-1-ylethanone.
What is the SMILES notation for 2-(1,2-dimethylindol-3-yl)-1-piperidin-1-ylethanone?
The canonical SMILES for 2-(1,2-dimethylindol-3-yl)-1-piperidin-1-ylethanone is Cc1c(CC(=O)N2CCCCC2)c2ccccc2n1C.
What is the InChIKey of 2-(1,2-dimethylindol-3-yl)-1-piperidin-1-ylethanone?
The InChIKey is ZAZGMBQIOXUXMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O/c1-13-15(12-17(20)19-10-6-3-7-11-19)14-8-4-5-9-16(14)18(13)2/h4-5,8-9H,3,6-7,10-12H2,1-2H3.
What are the key properties of 2-(1,2-dimethylindol-3-yl)-1-piperidin-1-ylethanone?
2-(1,2-dimethylindol-3-yl)-1-piperidin-1-ylethanone has a molecular weight of 270.38 g/mol, XLogP of 3.04, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,2-dimethylindol-3-yl)-1-piperidin-1-ylethanone is sourced from PubChem (CID 110768819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).