2-methyl-6-(2-methyl-1,3-dihydroisoindol-5-yl)piperidin-4-one

C15H20N2O — CID 82385584

IUPAC2-methyl-6-(2-methyl-1,3-dihydroisoindol-5-yl)piperidin-4-one
SMILESCC1CC(=O)CC(c2ccc3c(c2)CN(C)C3)N1
InChIInChI=1S/C15H20N2O/c1-10-5-14(18)7-15(16-10)11-3-4-12-8-17(2)9-13(12)6-11/h3-4,6,10,15-16H,5,7-9H2,1-2H3
InChIKeyNAWFRENRQNEAMH-UHFFFAOYSA-N
MW244.34 g/mol
LogP2.01
Rot. Bonds1

About 2-methyl-6-(2-methyl-1,3-dihydroisoindol-5-yl)piperidin-4-one

2-methyl-6-(2-methyl-1,3-dihydroisoindol-5-yl)piperidin-4-one (PubChem CID 82385584) has the molecular formula C15H20N2O and a molecular weight of 244.34 g/mol. Its IUPAC name is 2-methyl-6-(2-methyl-1,3-dihydroisoindol-5-yl)piperidin-4-one.

Molecular Properties

Compound Name2-methyl-6-(2-methyl-1,3-dihydroisoindol-5-yl)piperidin-4-one
PubChem CID82385584
Molecular FormulaC15H20N2O
Molecular Weight244.34 g/mol
Exact Mass244.16
IUPAC Name2-methyl-6-(2-methyl-1,3-dihydroisoindol-5-yl)piperidin-4-one
SMILESCC1CC(=O)CC(c2ccc3c(c2)CN(C)C3)N1
InChIInChI=1S/C15H20N2O/c1-10-5-14(18)7-15(16-10)11-3-4-12-8-17(2)9-13(12)6-11/h3-4,6,10,15-16H,5,7-9H2,1-2H3
InChIKeyNAWFRENRQNEAMH-UHFFFAOYSA-N
XLogP2.01
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.34
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-(2-methyl-1,3-dihydroisoindol-5-yl)piperidin-4-one?
The IUPAC name of 2-methyl-6-(2-methyl-1,3-dihydroisoindol-5-yl)piperidin-4-one (CID 82385584) is 2-methyl-6-(2-methyl-1,3-dihydroisoindol-5-yl)piperidin-4-one.
What is the SMILES notation for 2-methyl-6-(2-methyl-1,3-dihydroisoindol-5-yl)piperidin-4-one?
The canonical SMILES for 2-methyl-6-(2-methyl-1,3-dihydroisoindol-5-yl)piperidin-4-one is CC1CC(=O)CC(c2ccc3c(c2)CN(C)C3)N1.
What is the InChIKey of 2-methyl-6-(2-methyl-1,3-dihydroisoindol-5-yl)piperidin-4-one?
The InChIKey is NAWFRENRQNEAMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O/c1-10-5-14(18)7-15(16-10)11-3-4-12-8-17(2)9-13(12)6-11/h3-4,6,10,15-16H,5,7-9H2,1-2H3.
What are the key properties of 2-methyl-6-(2-methyl-1,3-dihydroisoindol-5-yl)piperidin-4-one?
2-methyl-6-(2-methyl-1,3-dihydroisoindol-5-yl)piperidin-4-one has a molecular weight of 244.34 g/mol, XLogP of 2.01, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-(2-methyl-1,3-dihydroisoindol-5-yl)piperidin-4-one is sourced from PubChem (CID 82385584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).