1-(1-benzofuran-2-ylmethyl)-6-(2,6-dimethoxyphenyl)piperidin-2-one

C22H23NO4 — CID 69083788

IUPAC1-(1-benzofuran-2-ylmethyl)-6-(2,6-dimethoxyphenyl)piperidin-2-one
SMILESCOc1cccc(OC)c1C1CCCC(=O)N1Cc1cc2ccccc2o1
InChIInChI=1S/C22H23NO4/c1-25-19-10-6-11-20(26-2)22(19)17-8-5-12-21(24)23(17)14-16-13-15-7-3-4-9-18(15)27-16/h3-4,6-7,9-11,13,17H,5,8,12,14H2,1-2H3
InChIKeyOCTOQPZKGOMKKM-UHFFFAOYSA-N
MW365.43 g/mol
LogP4.70
Rot. Bonds5

About 1-(1-benzofuran-2-ylmethyl)-6-(2,6-dimethoxyphenyl)piperidin-2-one

1-(1-benzofuran-2-ylmethyl)-6-(2,6-dimethoxyphenyl)piperidin-2-one (PubChem CID 69083788) has the molecular formula C22H23NO4 and a molecular weight of 365.43 g/mol. Its IUPAC name is 1-(1-benzofuran-2-ylmethyl)-6-(2,6-dimethoxyphenyl)piperidin-2-one.

Molecular Properties

Compound Name1-(1-benzofuran-2-ylmethyl)-6-(2,6-dimethoxyphenyl)piperidin-2-one
PubChem CID69083788
Molecular FormulaC22H23NO4
Molecular Weight365.43 g/mol
Exact Mass365.16
IUPAC Name1-(1-benzofuran-2-ylmethyl)-6-(2,6-dimethoxyphenyl)piperidin-2-one
SMILESCOc1cccc(OC)c1C1CCCC(=O)N1Cc1cc2ccccc2o1
InChIInChI=1S/C22H23NO4/c1-25-19-10-6-11-20(26-2)22(19)17-8-5-12-21(24)23(17)14-16-13-15-7-3-4-9-18(15)27-16/h3-4,6-7,9-11,13,17H,5,8,12,14H2,1-2H3
InChIKeyOCTOQPZKGOMKKM-UHFFFAOYSA-N
XLogP4.70
TPSA51.91 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.43
LogP ≤ 54.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(1-benzofuran-2-ylmethyl)-6-(2,6-dimethoxyphenyl)piperidin-2-one?
The IUPAC name of 1-(1-benzofuran-2-ylmethyl)-6-(2,6-dimethoxyphenyl)piperidin-2-one (CID 69083788) is 1-(1-benzofuran-2-ylmethyl)-6-(2,6-dimethoxyphenyl)piperidin-2-one.
What is the SMILES notation for 1-(1-benzofuran-2-ylmethyl)-6-(2,6-dimethoxyphenyl)piperidin-2-one?
The canonical SMILES for 1-(1-benzofuran-2-ylmethyl)-6-(2,6-dimethoxyphenyl)piperidin-2-one is COc1cccc(OC)c1C1CCCC(=O)N1Cc1cc2ccccc2o1.
What is the InChIKey of 1-(1-benzofuran-2-ylmethyl)-6-(2,6-dimethoxyphenyl)piperidin-2-one?
The InChIKey is OCTOQPZKGOMKKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23NO4/c1-25-19-10-6-11-20(26-2)22(19)17-8-5-12-21(24)23(17)14-16-13-15-7-3-4-9-18(15)27-16/h3-4,6-7,9-11,13,17H,5,8,12,14H2,1-2H3.
What are the key properties of 1-(1-benzofuran-2-ylmethyl)-6-(2,6-dimethoxyphenyl)piperidin-2-one?
1-(1-benzofuran-2-ylmethyl)-6-(2,6-dimethoxyphenyl)piperidin-2-one has a molecular weight of 365.43 g/mol, XLogP of 4.70, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-benzofuran-2-ylmethyl)-6-(2,6-dimethoxyphenyl)piperidin-2-one is sourced from PubChem (CID 69083788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).