1-(2,6-dimethyl-1H-indol-3-yl)-2-piperidin-1-ylethanone

C17H22N2O — CID 845560

IUPAC1-(2,6-dimethyl-1H-indol-3-yl)-2-piperidin-1-ylethanone
SMILESCc1ccc2c(C(=O)CN3CCCCC3)c(C)[nH]c2c1
InChIInChI=1S/C17H22N2O/c1-12-6-7-14-15(10-12)18-13(2)17(14)16(20)11-19-8-4-3-5-9-19/h6-7,10,18H,3-5,8-9,11H2,1-2H3
InChIKeyGYGSTSMEKSTQLN-UHFFFAOYSA-N
MW270.38 g/mol
LogP3.45
Rot. Bonds3

About 1-(2,6-dimethyl-1H-indol-3-yl)-2-piperidin-1-ylethanone

1-(2,6-dimethyl-1H-indol-3-yl)-2-piperidin-1-ylethanone (PubChem CID 845560) has the molecular formula C17H22N2O and a molecular weight of 270.38 g/mol. Its IUPAC name is 1-(2,6-dimethyl-1H-indol-3-yl)-2-piperidin-1-ylethanone.

Molecular Properties

Compound Name1-(2,6-dimethyl-1H-indol-3-yl)-2-piperidin-1-ylethanone
PubChem CID845560
Molecular FormulaC17H22N2O
Molecular Weight270.38 g/mol
Exact Mass270.17
IUPAC Name1-(2,6-dimethyl-1H-indol-3-yl)-2-piperidin-1-ylethanone
SMILESCc1ccc2c(C(=O)CN3CCCCC3)c(C)[nH]c2c1
InChIInChI=1S/C17H22N2O/c1-12-6-7-14-15(10-12)18-13(2)17(14)16(20)11-19-8-4-3-5-9-19/h6-7,10,18H,3-5,8-9,11H2,1-2H3
InChIKeyGYGSTSMEKSTQLN-UHFFFAOYSA-N
XLogP3.45
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 ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2,6-dimethyl-1H-indol-3-yl)-2-piperidin-1-ylethanone?
The IUPAC name of 1-(2,6-dimethyl-1H-indol-3-yl)-2-piperidin-1-ylethanone (CID 845560) is 1-(2,6-dimethyl-1H-indol-3-yl)-2-piperidin-1-ylethanone.
What is the SMILES notation for 1-(2,6-dimethyl-1H-indol-3-yl)-2-piperidin-1-ylethanone?
The canonical SMILES for 1-(2,6-dimethyl-1H-indol-3-yl)-2-piperidin-1-ylethanone is Cc1ccc2c(C(=O)CN3CCCCC3)c(C)[nH]c2c1.
What is the InChIKey of 1-(2,6-dimethyl-1H-indol-3-yl)-2-piperidin-1-ylethanone?
The InChIKey is GYGSTSMEKSTQLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O/c1-12-6-7-14-15(10-12)18-13(2)17(14)16(20)11-19-8-4-3-5-9-19/h6-7,10,18H,3-5,8-9,11H2,1-2H3.
What are the key properties of 1-(2,6-dimethyl-1H-indol-3-yl)-2-piperidin-1-ylethanone?
1-(2,6-dimethyl-1H-indol-3-yl)-2-piperidin-1-ylethanone has a molecular weight of 270.38 g/mol, XLogP of 3.45, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-dimethyl-1H-indol-3-yl)-2-piperidin-1-ylethanone is sourced from PubChem (CID 845560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).