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

C19H26N2O — CID 919273

IUPAC1-(1,2-dimethylindol-3-yl)-2-(3,3-dimethylpiperidin-1-yl)ethanone
SMILESCc1c(C(=O)CN2CCCC(C)(C)C2)c2ccccc2n1C
InChIInChI=1S/C19H26N2O/c1-14-18(15-8-5-6-9-16(15)20(14)4)17(22)12-21-11-7-10-19(2,3)13-21/h5-6,8-9H,7,10-13H2,1-4H3
InChIKeyBPCCIKVWHNBDAD-UHFFFAOYSA-N
MW298.43 g/mol
LogP3.79
Rot. Bonds3

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

1-(1,2-dimethylindol-3-yl)-2-(3,3-dimethylpiperidin-1-yl)ethanone (PubChem CID 919273) has the molecular formula C19H26N2O and a molecular weight of 298.43 g/mol. Its IUPAC name is 1-(1,2-dimethylindol-3-yl)-2-(3,3-dimethylpiperidin-1-yl)ethanone.

Molecular Properties

Compound Name1-(1,2-dimethylindol-3-yl)-2-(3,3-dimethylpiperidin-1-yl)ethanone
PubChem CID919273
Molecular FormulaC19H26N2O
Molecular Weight298.43 g/mol
Exact Mass298.20
IUPAC Name1-(1,2-dimethylindol-3-yl)-2-(3,3-dimethylpiperidin-1-yl)ethanone
SMILESCc1c(C(=O)CN2CCCC(C)(C)C2)c2ccccc2n1C
InChIInChI=1S/C19H26N2O/c1-14-18(15-8-5-6-9-16(15)20(14)4)17(22)12-21-11-7-10-19(2,3)13-21/h5-6,8-9H,7,10-13H2,1-4H3
InChIKeyBPCCIKVWHNBDAD-UHFFFAOYSA-N
XLogP3.79
TPSA25.24 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.43
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(1,2-dimethylindol-3-yl)-2-(3,3-dimethylpiperidin-1-yl)ethanone?
The IUPAC name of 1-(1,2-dimethylindol-3-yl)-2-(3,3-dimethylpiperidin-1-yl)ethanone (CID 919273) is 1-(1,2-dimethylindol-3-yl)-2-(3,3-dimethylpiperidin-1-yl)ethanone.
What is the SMILES notation for 1-(1,2-dimethylindol-3-yl)-2-(3,3-dimethylpiperidin-1-yl)ethanone?
The canonical SMILES for 1-(1,2-dimethylindol-3-yl)-2-(3,3-dimethylpiperidin-1-yl)ethanone is Cc1c(C(=O)CN2CCCC(C)(C)C2)c2ccccc2n1C.
What is the InChIKey of 1-(1,2-dimethylindol-3-yl)-2-(3,3-dimethylpiperidin-1-yl)ethanone?
The InChIKey is BPCCIKVWHNBDAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O/c1-14-18(15-8-5-6-9-16(15)20(14)4)17(22)12-21-11-7-10-19(2,3)13-21/h5-6,8-9H,7,10-13H2,1-4H3.
What are the key properties of 1-(1,2-dimethylindol-3-yl)-2-(3,3-dimethylpiperidin-1-yl)ethanone?
1-(1,2-dimethylindol-3-yl)-2-(3,3-dimethylpiperidin-1-yl)ethanone has a molecular weight of 298.43 g/mol, XLogP of 3.79, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,2-dimethylindol-3-yl)-2-(3,3-dimethylpiperidin-1-yl)ethanone is sourced from PubChem (CID 919273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).