4-[6-(4-hydroxypiperidin-1-yl)-3-pyridinyl]-6,7-dimethoxy-1H-benzo[f][2]benzofuran-3-one

C24H24N2O5 — CID 165394183

IUPAC4-[6-(4-hydroxypiperidin-1-yl)-3-pyridinyl]-6,7-dimethoxy-1H-benzo[f][2]benzofuran-3-one
SMILESCOc1cc2cc3c(c(-c4ccc(N5CCC(O)CC5)nc4)c2cc1OC)C(=O)OC3
InChIInChI=1S/C24H24N2O5/c1-29-19-10-15-9-16-13-31-24(28)23(16)22(18(15)11-20(19)30-2)14-3-4-21(25-12-14)26-7-5-17(27)6-8-26/h3-4,9-12,17,27H,5-8,13H2,1-2H3
InChIKeyYKGZTKBTIRIOLQ-UHFFFAOYSA-N
MW420.47 g/mol
LogP3.55
Rot. Bonds4

About 4-[6-(4-hydroxypiperidin-1-yl)-3-pyridinyl]-6,7-dimethoxy-1H-benzo[f][2]benzofuran-3-one

4-[6-(4-hydroxypiperidin-1-yl)-3-pyridinyl]-6,7-dimethoxy-1H-benzo[f][2]benzofuran-3-one (PubChem CID 165394183) has the molecular formula C24H24N2O5 and a molecular weight of 420.47 g/mol. Its IUPAC name is 4-[6-(4-hydroxypiperidin-1-yl)-3-pyridinyl]-6,7-dimethoxy-1H-benzo[f][2]benzofuran-3-one.

Molecular Properties

Compound Name4-[6-(4-hydroxypiperidin-1-yl)-3-pyridinyl]-6,7-dimethoxy-1H-benzo[f][2]benzofuran-3-one
PubChem CID165394183
Molecular FormulaC24H24N2O5
Molecular Weight420.47 g/mol
Exact Mass420.17
IUPAC Name4-[6-(4-hydroxypiperidin-1-yl)-3-pyridinyl]-6,7-dimethoxy-1H-benzo[f][2]benzofuran-3-one
SMILESCOc1cc2cc3c(c(-c4ccc(N5CCC(O)CC5)nc4)c2cc1OC)C(=O)OC3
InChIInChI=1S/C24H24N2O5/c1-29-19-10-15-9-16-13-31-24(28)23(16)22(18(15)11-20(19)30-2)14-3-4-21(25-12-14)26-7-5-17(27)6-8-26/h3-4,9-12,17,27H,5-8,13H2,1-2H3
InChIKeyYKGZTKBTIRIOLQ-UHFFFAOYSA-N
XLogP3.55
TPSA81.12 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.47
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

6,7-dimethoxy-4-[6-(4-methylpiperidin-1-yl)-3-pyridinyl]-1H-benzo[f][2]benzofuran-3-one
CID 165394405
6,7-dimethoxy-4-(2-morpholin-4-ylpyrimidin-5-yl)-1H-benzo[f][2]benzofuran-3-one
CID 165394276
N-[5-(6,7-dimethoxy-3-oxo-1H-benzo[f][2]benzofuran-4-yl)-2-pyridinyl]-N-methylacetamide
CID 165394309
4-[6-(diethylamino)-3-pyridinyl]-6,7-dimethoxy-1H-benzo[f][2]benzofuran-3-one
CID 165394194
6,7-dimethoxy-4-[6-[methyl(2-methylbutyl)amino]-3-pyridinyl]-1H-benzo[f][2]benzofuran-3-one;hydrochloride
CID 171059228
6,7-dimethoxy-4-quinolin-7-yl-1H-benzo[f][2]benzofuran-3-one
CID 171059418
4-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)pyrimidin-5-yl]-6,7-dimethoxy-1H-benzo[f][2]benzofuran-3-one
CID 171059320
6,7-dimethoxy-4-[6-[methyl-[(5-methylfuran-2-yl)methyl]amino]-3-pyridinyl]-1H-benzo[f][2]benzofuran-3-one
CID 165394332
6,7-dimethoxy-4-[2-[(2R)-2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]pyrimidin-5-yl]-1H-benzo[f][2]benzofuran-3-one
CID 171059325
4-[2-[bis(2-hydroxyethyl)amino]pyrimidin-5-yl]-6,7-dimethoxy-1H-benzo[f][2]benzofuran-3-one;hydrochloride
CID 171059390
6,7-dimethoxy-4-[6-[methyl-(5-methyl-1,3,4-thiadiazol-2-yl)amino]-3-pyridinyl]-1H-benzo[f][2]benzofuran-3-one
CID 171059358
4-[2-[butyl(methyl)amino]pyrimidin-5-yl]-6,7-dimethoxy-1H-benzo[f][2]benzofuran-3-one
CID 165394233

Frequently Asked Questions

What is the IUPAC name of 4-[6-(4-hydroxypiperidin-1-yl)-3-pyridinyl]-6,7-dimethoxy-1H-benzo[f][2]benzofuran-3-one?
The IUPAC name of 4-[6-(4-hydroxypiperidin-1-yl)-3-pyridinyl]-6,7-dimethoxy-1H-benzo[f][2]benzofuran-3-one (CID 165394183) is 4-[6-(4-hydroxypiperidin-1-yl)-3-pyridinyl]-6,7-dimethoxy-1H-benzo[f][2]benzofuran-3-one.
What is the SMILES notation for 4-[6-(4-hydroxypiperidin-1-yl)-3-pyridinyl]-6,7-dimethoxy-1H-benzo[f][2]benzofuran-3-one?
The canonical SMILES for 4-[6-(4-hydroxypiperidin-1-yl)-3-pyridinyl]-6,7-dimethoxy-1H-benzo[f][2]benzofuran-3-one is COc1cc2cc3c(c(-c4ccc(N5CCC(O)CC5)nc4)c2cc1OC)C(=O)OC3.
What is the InChIKey of 4-[6-(4-hydroxypiperidin-1-yl)-3-pyridinyl]-6,7-dimethoxy-1H-benzo[f][2]benzofuran-3-one?
The InChIKey is YKGZTKBTIRIOLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N2O5/c1-29-19-10-15-9-16-13-31-24(28)23(16)22(18(15)11-20(19)30-2)14-3-4-21(25-12-14)26-7-5-17(27)6-8-26/h3-4,9-12,17,27H,5-8,13H2,1-2H3.
What are the key properties of 4-[6-(4-hydroxypiperidin-1-yl)-3-pyridinyl]-6,7-dimethoxy-1H-benzo[f][2]benzofuran-3-one?
4-[6-(4-hydroxypiperidin-1-yl)-3-pyridinyl]-6,7-dimethoxy-1H-benzo[f][2]benzofuran-3-one has a molecular weight of 420.47 g/mol, XLogP of 3.55, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-(4-hydroxypiperidin-1-yl)-3-pyridinyl]-6,7-dimethoxy-1H-benzo[f][2]benzofuran-3-one is sourced from PubChem (CID 165394183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).