1-(2-methyl-1H-indol-3-yl)-2-(2-methylpiperidin-1-yl)ethanone

C17H22N2O — CID 659422

IUPAC1-(2-methyl-1H-indol-3-yl)-2-(2-methylpiperidin-1-yl)ethanone
SMILESCc1[nH]c2ccccc2c1C(=O)CN1CCCCC1C
InChIInChI=1S/C17H22N2O/c1-12-7-5-6-10-19(12)11-16(20)17-13(2)18-15-9-4-3-8-14(15)17/h3-4,8-9,12,18H,5-7,10-11H2,1-2H3
InChIKeyVMIOFZFIOOEUFH-UHFFFAOYSA-N
MW270.38 g/mol
LogP3.53
Rot. Bonds3

About 1-(2-methyl-1H-indol-3-yl)-2-(2-methylpiperidin-1-yl)ethanone

1-(2-methyl-1H-indol-3-yl)-2-(2-methylpiperidin-1-yl)ethanone (PubChem CID 659422) has the molecular formula C17H22N2O and a molecular weight of 270.38 g/mol. Its IUPAC name is 1-(2-methyl-1H-indol-3-yl)-2-(2-methylpiperidin-1-yl)ethanone.

Molecular Properties

Compound Name1-(2-methyl-1H-indol-3-yl)-2-(2-methylpiperidin-1-yl)ethanone
PubChem CID659422
Molecular FormulaC17H22N2O
Molecular Weight270.38 g/mol
Exact Mass270.17
IUPAC Name1-(2-methyl-1H-indol-3-yl)-2-(2-methylpiperidin-1-yl)ethanone
SMILESCc1[nH]c2ccccc2c1C(=O)CN1CCCCC1C
InChIInChI=1S/C17H22N2O/c1-12-7-5-6-10-19(12)11-16(20)17-13(2)18-15-9-4-3-8-14(15)17/h3-4,8-9,12,18H,5-7,10-11H2,1-2H3
InChIKeyVMIOFZFIOOEUFH-UHFFFAOYSA-N
XLogP3.53
TPSA36.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.38
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methyl-1H-indol-3-yl)-2-(2-methylpiperidin-1-yl)ethanone?
The IUPAC name of 1-(2-methyl-1H-indol-3-yl)-2-(2-methylpiperidin-1-yl)ethanone (CID 659422) is 1-(2-methyl-1H-indol-3-yl)-2-(2-methylpiperidin-1-yl)ethanone.
What is the SMILES notation for 1-(2-methyl-1H-indol-3-yl)-2-(2-methylpiperidin-1-yl)ethanone?
The canonical SMILES for 1-(2-methyl-1H-indol-3-yl)-2-(2-methylpiperidin-1-yl)ethanone is Cc1[nH]c2ccccc2c1C(=O)CN1CCCCC1C.
What is the InChIKey of 1-(2-methyl-1H-indol-3-yl)-2-(2-methylpiperidin-1-yl)ethanone?
The InChIKey is VMIOFZFIOOEUFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O/c1-12-7-5-6-10-19(12)11-16(20)17-13(2)18-15-9-4-3-8-14(15)17/h3-4,8-9,12,18H,5-7,10-11H2,1-2H3.
What are the key properties of 1-(2-methyl-1H-indol-3-yl)-2-(2-methylpiperidin-1-yl)ethanone?
1-(2-methyl-1H-indol-3-yl)-2-(2-methylpiperidin-1-yl)ethanone has a molecular weight of 270.38 g/mol, XLogP of 3.53, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methyl-1H-indol-3-yl)-2-(2-methylpiperidin-1-yl)ethanone is sourced from PubChem (CID 659422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).