5-(4-hydroxy-4,5,6,7-tetrahydroindol-1-yl)-1-methylpiperidin-2-one

C14H20N2O2 — CID 64670016

IUPAC5-(4-hydroxy-4,5,6,7-tetrahydroindol-1-yl)-1-methylpiperidin-2-one
SMILESCN1CC(n2ccc3c2CCCC3O)CCC1=O
InChIInChI=1S/C14H20N2O2/c1-15-9-10(5-6-14(15)18)16-8-7-11-12(16)3-2-4-13(11)17/h7-8,10,13,17H,2-6,9H2,1H3
InChIKeyIYJKCZVUSYVNHJ-UHFFFAOYSA-N
MW248.33 g/mol
LogP1.65
Rot. Bonds1

About 5-(4-hydroxy-4,5,6,7-tetrahydroindol-1-yl)-1-methylpiperidin-2-one

5-(4-hydroxy-4,5,6,7-tetrahydroindol-1-yl)-1-methylpiperidin-2-one (PubChem CID 64670016) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is 5-(4-hydroxy-4,5,6,7-tetrahydroindol-1-yl)-1-methylpiperidin-2-one.

Molecular Properties

Compound Name5-(4-hydroxy-4,5,6,7-tetrahydroindol-1-yl)-1-methylpiperidin-2-one
PubChem CID64670016
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC Name5-(4-hydroxy-4,5,6,7-tetrahydroindol-1-yl)-1-methylpiperidin-2-one
SMILESCN1CC(n2ccc3c2CCCC3O)CCC1=O
InChIInChI=1S/C14H20N2O2/c1-15-9-10(5-6-14(15)18)16-8-7-11-12(16)3-2-4-13(11)17/h7-8,10,13,17H,2-6,9H2,1H3
InChIKeyIYJKCZVUSYVNHJ-UHFFFAOYSA-N
XLogP1.65
TPSA45.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(4-hydroxy-4,5,6,7-tetrahydroindol-1-yl)-1-methylpiperidin-2-one?
The IUPAC name of 5-(4-hydroxy-4,5,6,7-tetrahydroindol-1-yl)-1-methylpiperidin-2-one (CID 64670016) is 5-(4-hydroxy-4,5,6,7-tetrahydroindol-1-yl)-1-methylpiperidin-2-one.
What is the SMILES notation for 5-(4-hydroxy-4,5,6,7-tetrahydroindol-1-yl)-1-methylpiperidin-2-one?
The canonical SMILES for 5-(4-hydroxy-4,5,6,7-tetrahydroindol-1-yl)-1-methylpiperidin-2-one is CN1CC(n2ccc3c2CCCC3O)CCC1=O.
What is the InChIKey of 5-(4-hydroxy-4,5,6,7-tetrahydroindol-1-yl)-1-methylpiperidin-2-one?
The InChIKey is IYJKCZVUSYVNHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2/c1-15-9-10(5-6-14(15)18)16-8-7-11-12(16)3-2-4-13(11)17/h7-8,10,13,17H,2-6,9H2,1H3.
What are the key properties of 5-(4-hydroxy-4,5,6,7-tetrahydroindol-1-yl)-1-methylpiperidin-2-one?
5-(4-hydroxy-4,5,6,7-tetrahydroindol-1-yl)-1-methylpiperidin-2-one has a molecular weight of 248.33 g/mol, XLogP of 1.65, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-hydroxy-4,5,6,7-tetrahydroindol-1-yl)-1-methylpiperidin-2-one is sourced from PubChem (CID 64670016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).