2-(1,2-dimethylindol-3-yl)-1-(2-ethylpiperidin-1-yl)ethanone

C19H26N2O — CID 113211418

IUPAC2-(1,2-dimethylindol-3-yl)-1-(2-ethylpiperidin-1-yl)ethanone
SMILESCCC1CCCCN1C(=O)Cc1c(C)n(C)c2ccccc12
InChIInChI=1S/C19H26N2O/c1-4-15-9-7-8-12-21(15)19(22)13-17-14(2)20(3)18-11-6-5-10-16(17)18/h5-6,10-11,15H,4,7-9,12-13H2,1-3H3
InChIKeyGJQSFWUTONGNKH-UHFFFAOYSA-N
MW298.43 g/mol
LogP3.82
Rot. Bonds3

About 2-(1,2-dimethylindol-3-yl)-1-(2-ethylpiperidin-1-yl)ethanone

2-(1,2-dimethylindol-3-yl)-1-(2-ethylpiperidin-1-yl)ethanone (PubChem CID 113211418) has the molecular formula C19H26N2O and a molecular weight of 298.43 g/mol. Its IUPAC name is 2-(1,2-dimethylindol-3-yl)-1-(2-ethylpiperidin-1-yl)ethanone.

Molecular Properties

Compound Name2-(1,2-dimethylindol-3-yl)-1-(2-ethylpiperidin-1-yl)ethanone
PubChem CID113211418
Molecular FormulaC19H26N2O
Molecular Weight298.43 g/mol
Exact Mass298.20
IUPAC Name2-(1,2-dimethylindol-3-yl)-1-(2-ethylpiperidin-1-yl)ethanone
SMILESCCC1CCCCN1C(=O)Cc1c(C)n(C)c2ccccc12
InChIInChI=1S/C19H26N2O/c1-4-15-9-7-8-12-21(15)19(22)13-17-14(2)20(3)18-11-6-5-10-16(17)18/h5-6,10-11,15H,4,7-9,12-13H2,1-3H3
InChIKeyGJQSFWUTONGNKH-UHFFFAOYSA-N
XLogP3.82
TPSA25.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.43
LogP ≤ 53.82
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-(1,2-dimethylindol-3-yl)-2-[(2R)-2-ethylpiperidin-1-yl]ethane-1,2-dione
CID 7087156
1-(2-ethylazepan-1-yl)-2-(2-hydroxyphenyl)ethanone
CID 112695780
1-(2-ethylpyrrolidin-1-yl)-2-(2-methylphenyl)ethanone
CID 110671107
1-[(2R)-2-ethylpiperidin-1-yl]-2-(2-nitrophenyl)ethanone
CID 7346087
1-(2-ethylpiperidin-1-yl)-2-[3-[(2-methylphenyl)methylsulfonyl]indol-1-yl]ethanone
CID 43958360
1-(2-ethylpyrrolidin-1-yl)-2-(2-fluorophenyl)ethanone
CID 110671110
1-(2-ethylpiperidin-1-yl)-2-(3-hydroxyphenyl)ethanone
CID 61399838
1-(2-ethylpiperidin-1-yl)-2-(2-methylphenoxy)ethanone
CID 112977253
2-(3-aminophenyl)-1-(2-ethylpiperidin-1-yl)ethanone
CID 62498346
N-[(2-chlorophenyl)methyl]-3-(2-ethylpiperidin-1-yl)-3-oxopropanamide
CID 108946579
1-[(2R)-2-ethylpiperidin-1-yl]propan-1-one
CID 40538705
(2-ethylazepan-1-yl)-(2-hydroxyphenyl)methanone
CID 112692526

Frequently Asked Questions

What is the IUPAC name of 2-(1,2-dimethylindol-3-yl)-1-(2-ethylpiperidin-1-yl)ethanone?
The IUPAC name of 2-(1,2-dimethylindol-3-yl)-1-(2-ethylpiperidin-1-yl)ethanone (CID 113211418) is 2-(1,2-dimethylindol-3-yl)-1-(2-ethylpiperidin-1-yl)ethanone.
What is the SMILES notation for 2-(1,2-dimethylindol-3-yl)-1-(2-ethylpiperidin-1-yl)ethanone?
The canonical SMILES for 2-(1,2-dimethylindol-3-yl)-1-(2-ethylpiperidin-1-yl)ethanone is CCC1CCCCN1C(=O)Cc1c(C)n(C)c2ccccc12.
What is the InChIKey of 2-(1,2-dimethylindol-3-yl)-1-(2-ethylpiperidin-1-yl)ethanone?
The InChIKey is GJQSFWUTONGNKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O/c1-4-15-9-7-8-12-21(15)19(22)13-17-14(2)20(3)18-11-6-5-10-16(17)18/h5-6,10-11,15H,4,7-9,12-13H2,1-3H3.
What are the key properties of 2-(1,2-dimethylindol-3-yl)-1-(2-ethylpiperidin-1-yl)ethanone?
2-(1,2-dimethylindol-3-yl)-1-(2-ethylpiperidin-1-yl)ethanone has a molecular weight of 298.43 g/mol, XLogP of 3.82, 3 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-(2-ethylpiperidin-1-yl)ethanone is sourced from PubChem (CID 113211418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).