1-(2,3-dimethylindol-1-yl)-2-(4-methylpiperidin-1-yl)ethanone

C18H24N2O — CID 920008

IUPAC1-(2,3-dimethylindol-1-yl)-2-(4-methylpiperidin-1-yl)ethanone
SMILESCc1c(C)n(C(=O)CN2CCC(C)CC2)c2ccccc12
InChIInChI=1S/C18H24N2O/c1-13-8-10-19(11-9-13)12-18(21)20-15(3)14(2)16-6-4-5-7-17(16)20/h4-7,13H,8-12H2,1-3H3
InChIKeyTZDKNVWAMSXZSM-UHFFFAOYSA-N
MW284.40 g/mol
LogP3.63
Rot. Bonds2

About 1-(2,3-dimethylindol-1-yl)-2-(4-methylpiperidin-1-yl)ethanone

1-(2,3-dimethylindol-1-yl)-2-(4-methylpiperidin-1-yl)ethanone (PubChem CID 920008) has the molecular formula C18H24N2O and a molecular weight of 284.40 g/mol. Its IUPAC name is 1-(2,3-dimethylindol-1-yl)-2-(4-methylpiperidin-1-yl)ethanone.

Molecular Properties

Compound Name1-(2,3-dimethylindol-1-yl)-2-(4-methylpiperidin-1-yl)ethanone
PubChem CID920008
Molecular FormulaC18H24N2O
Molecular Weight284.40 g/mol
Exact Mass284.19
IUPAC Name1-(2,3-dimethylindol-1-yl)-2-(4-methylpiperidin-1-yl)ethanone
SMILESCc1c(C)n(C(=O)CN2CCC(C)CC2)c2ccccc12
InChIInChI=1S/C18H24N2O/c1-13-8-10-19(11-9-13)12-18(21)20-15(3)14(2)16-6-4-5-7-17(16)20/h4-7,13H,8-12H2,1-3H3
InChIKeyTZDKNVWAMSXZSM-UHFFFAOYSA-N
XLogP3.63
TPSA25.24 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dimethylindol-1-yl)-2-(4-methylpiperidin-1-yl)ethanone?
The IUPAC name of 1-(2,3-dimethylindol-1-yl)-2-(4-methylpiperidin-1-yl)ethanone (CID 920008) is 1-(2,3-dimethylindol-1-yl)-2-(4-methylpiperidin-1-yl)ethanone.
What is the SMILES notation for 1-(2,3-dimethylindol-1-yl)-2-(4-methylpiperidin-1-yl)ethanone?
The canonical SMILES for 1-(2,3-dimethylindol-1-yl)-2-(4-methylpiperidin-1-yl)ethanone is Cc1c(C)n(C(=O)CN2CCC(C)CC2)c2ccccc12.
What is the InChIKey of 1-(2,3-dimethylindol-1-yl)-2-(4-methylpiperidin-1-yl)ethanone?
The InChIKey is TZDKNVWAMSXZSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O/c1-13-8-10-19(11-9-13)12-18(21)20-15(3)14(2)16-6-4-5-7-17(16)20/h4-7,13H,8-12H2,1-3H3.
What are the key properties of 1-(2,3-dimethylindol-1-yl)-2-(4-methylpiperidin-1-yl)ethanone?
1-(2,3-dimethylindol-1-yl)-2-(4-methylpiperidin-1-yl)ethanone has a molecular weight of 284.40 g/mol, XLogP of 3.63, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dimethylindol-1-yl)-2-(4-methylpiperidin-1-yl)ethanone is sourced from PubChem (CID 920008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).