3-methyl-3-(piperidin-1-ylmethyl)-2-benzofuran-1-one

C15H19NO2 — CID 134967676

IUPAC3-methyl-3-(piperidin-1-ylmethyl)-2-benzofuran-1-one
SMILESCC1(CN2CCCCC2)OC(=O)c2ccccc21
InChIInChI=1S/C15H19NO2/c1-15(11-16-9-5-2-6-10-16)13-8-4-3-7-12(13)14(17)18-15/h3-4,7-8H,2,5-6,9-11H2,1H3
InChIKeyKNUFSNMOSCIJIG-UHFFFAOYSA-N
MW245.32 g/mol
LogP2.56
Rot. Bonds2

About 3-methyl-3-(piperidin-1-ylmethyl)-2-benzofuran-1-one

3-methyl-3-(piperidin-1-ylmethyl)-2-benzofuran-1-one (PubChem CID 134967676) has the molecular formula C15H19NO2 and a molecular weight of 245.32 g/mol. Its IUPAC name is 3-methyl-3-(piperidin-1-ylmethyl)-2-benzofuran-1-one.

Molecular Properties

Compound Name3-methyl-3-(piperidin-1-ylmethyl)-2-benzofuran-1-one
PubChem CID134967676
Molecular FormulaC15H19NO2
Molecular Weight245.32 g/mol
Exact Mass245.14
IUPAC Name3-methyl-3-(piperidin-1-ylmethyl)-2-benzofuran-1-one
SMILESCC1(CN2CCCCC2)OC(=O)c2ccccc21
InChIInChI=1S/C15H19NO2/c1-15(11-16-9-5-2-6-10-16)13-8-4-3-7-12(13)14(17)18-15/h3-4,7-8H,2,5-6,9-11H2,1H3
InChIKeyKNUFSNMOSCIJIG-UHFFFAOYSA-N
XLogP2.56
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.32
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-3-(piperidin-1-ylmethyl)-2-benzofuran-1-one?
The IUPAC name of 3-methyl-3-(piperidin-1-ylmethyl)-2-benzofuran-1-one (CID 134967676) is 3-methyl-3-(piperidin-1-ylmethyl)-2-benzofuran-1-one.
What is the SMILES notation for 3-methyl-3-(piperidin-1-ylmethyl)-2-benzofuran-1-one?
The canonical SMILES for 3-methyl-3-(piperidin-1-ylmethyl)-2-benzofuran-1-one is CC1(CN2CCCCC2)OC(=O)c2ccccc21.
What is the InChIKey of 3-methyl-3-(piperidin-1-ylmethyl)-2-benzofuran-1-one?
The InChIKey is KNUFSNMOSCIJIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO2/c1-15(11-16-9-5-2-6-10-16)13-8-4-3-7-12(13)14(17)18-15/h3-4,7-8H,2,5-6,9-11H2,1H3.
What are the key properties of 3-methyl-3-(piperidin-1-ylmethyl)-2-benzofuran-1-one?
3-methyl-3-(piperidin-1-ylmethyl)-2-benzofuran-1-one has a molecular weight of 245.32 g/mol, XLogP of 2.56, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-3-(piperidin-1-ylmethyl)-2-benzofuran-1-one is sourced from PubChem (CID 134967676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).