1-(dibenzofuran-2-ylmethyl)-6-(2,4-dimethoxy-3-pyridinyl)piperidin-2-one

C25H24N2O4 — CID 69085151

IUPAC1-(dibenzofuran-2-ylmethyl)-6-(2,4-dimethoxy-3-pyridinyl)piperidin-2-one
SMILESCOc1ccnc(OC)c1C1CCCC(=O)N1Cc1ccc2oc3ccccc3c2c1
InChIInChI=1S/C25H24N2O4/c1-29-22-12-13-26-25(30-2)24(22)19-7-5-9-23(28)27(19)15-16-10-11-21-18(14-16)17-6-3-4-8-20(17)31-21/h3-4,6,8,10-14,19H,5,7,9,15H2,1-2H3
InChIKeyJVILZWKBBUPTPP-UHFFFAOYSA-N
MW416.48 g/mol
LogP5.25
Rot. Bonds5

About 1-(dibenzofuran-2-ylmethyl)-6-(2,4-dimethoxy-3-pyridinyl)piperidin-2-one

1-(dibenzofuran-2-ylmethyl)-6-(2,4-dimethoxy-3-pyridinyl)piperidin-2-one (PubChem CID 69085151) has the molecular formula C25H24N2O4 and a molecular weight of 416.48 g/mol. Its IUPAC name is 1-(dibenzofuran-2-ylmethyl)-6-(2,4-dimethoxy-3-pyridinyl)piperidin-2-one.

Molecular Properties

Compound Name1-(dibenzofuran-2-ylmethyl)-6-(2,4-dimethoxy-3-pyridinyl)piperidin-2-one
PubChem CID69085151
Molecular FormulaC25H24N2O4
Molecular Weight416.48 g/mol
Exact Mass416.17
IUPAC Name1-(dibenzofuran-2-ylmethyl)-6-(2,4-dimethoxy-3-pyridinyl)piperidin-2-one
SMILESCOc1ccnc(OC)c1C1CCCC(=O)N1Cc1ccc2oc3ccccc3c2c1
InChIInChI=1S/C25H24N2O4/c1-29-22-12-13-26-25(30-2)24(22)19-7-5-9-23(28)27(19)15-16-10-11-21-18(14-16)17-6-3-4-8-20(17)31-21/h3-4,6,8,10-14,19H,5,7,9,15H2,1-2H3
InChIKeyJVILZWKBBUPTPP-UHFFFAOYSA-N
XLogP5.25
TPSA64.80 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500416.48
LogP ≤ 55.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(dibenzofuran-2-ylmethyl)-6-(2,4-dimethoxy-3-pyridinyl)piperidin-2-one?
The IUPAC name of 1-(dibenzofuran-2-ylmethyl)-6-(2,4-dimethoxy-3-pyridinyl)piperidin-2-one (CID 69085151) is 1-(dibenzofuran-2-ylmethyl)-6-(2,4-dimethoxy-3-pyridinyl)piperidin-2-one.
What is the SMILES notation for 1-(dibenzofuran-2-ylmethyl)-6-(2,4-dimethoxy-3-pyridinyl)piperidin-2-one?
The canonical SMILES for 1-(dibenzofuran-2-ylmethyl)-6-(2,4-dimethoxy-3-pyridinyl)piperidin-2-one is COc1ccnc(OC)c1C1CCCC(=O)N1Cc1ccc2oc3ccccc3c2c1.
What is the InChIKey of 1-(dibenzofuran-2-ylmethyl)-6-(2,4-dimethoxy-3-pyridinyl)piperidin-2-one?
The InChIKey is JVILZWKBBUPTPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N2O4/c1-29-22-12-13-26-25(30-2)24(22)19-7-5-9-23(28)27(19)15-16-10-11-21-18(14-16)17-6-3-4-8-20(17)31-21/h3-4,6,8,10-14,19H,5,7,9,15H2,1-2H3.
What are the key properties of 1-(dibenzofuran-2-ylmethyl)-6-(2,4-dimethoxy-3-pyridinyl)piperidin-2-one?
1-(dibenzofuran-2-ylmethyl)-6-(2,4-dimethoxy-3-pyridinyl)piperidin-2-one has a molecular weight of 416.48 g/mol, XLogP of 5.25, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(dibenzofuran-2-ylmethyl)-6-(2,4-dimethoxy-3-pyridinyl)piperidin-2-one is sourced from PubChem (CID 69085151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).