7-hydroxy-3-(2-methoxyphenyl)-8-[(4-methylpiperidin-1-yl)methyl]chromen-4-one

C23H25NO4 — CID 5348527

IUPAC7-hydroxy-3-(2-methoxyphenyl)-8-[(4-methylpiperidin-1-yl)methyl]chromen-4-one
SMILESCOc1ccccc1-c1coc2c(CN3CCC(C)CC3)c(O)ccc2c1=O
InChIInChI=1S/C23H25NO4/c1-15-9-11-24(12-10-15)13-18-20(25)8-7-17-22(26)19(14-28-23(17)18)16-5-3-4-6-21(16)27-2/h3-8,14-15,25H,9-13H2,1-2H3
InChIKeyDIPBHKKCKVWICC-UHFFFAOYSA-N
MW379.46 g/mol
LogP4.41
Rot. Bonds4

About 7-hydroxy-3-(2-methoxyphenyl)-8-[(4-methylpiperidin-1-yl)methyl]chromen-4-one

7-hydroxy-3-(2-methoxyphenyl)-8-[(4-methylpiperidin-1-yl)methyl]chromen-4-one (PubChem CID 5348527) has the molecular formula C23H25NO4 and a molecular weight of 379.46 g/mol. Its IUPAC name is 7-hydroxy-3-(2-methoxyphenyl)-8-[(4-methylpiperidin-1-yl)methyl]chromen-4-one.

Molecular Properties

Compound Name7-hydroxy-3-(2-methoxyphenyl)-8-[(4-methylpiperidin-1-yl)methyl]chromen-4-one
PubChem CID5348527
Molecular FormulaC23H25NO4
Molecular Weight379.46 g/mol
Exact Mass379.18
IUPAC Name7-hydroxy-3-(2-methoxyphenyl)-8-[(4-methylpiperidin-1-yl)methyl]chromen-4-one
SMILESCOc1ccccc1-c1coc2c(CN3CCC(C)CC3)c(O)ccc2c1=O
InChIInChI=1S/C23H25NO4/c1-15-9-11-24(12-10-15)13-18-20(25)8-7-17-22(26)19(14-28-23(17)18)16-5-3-4-6-21(16)27-2/h3-8,14-15,25H,9-13H2,1-2H3
InChIKeyDIPBHKKCKVWICC-UHFFFAOYSA-N
XLogP4.41
TPSA62.91 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.46
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 7-hydroxy-3-(2-methoxyphenyl)-8-[(4-methylpiperidin-1-yl)methyl]chromen-4-one?
The IUPAC name of 7-hydroxy-3-(2-methoxyphenyl)-8-[(4-methylpiperidin-1-yl)methyl]chromen-4-one (CID 5348527) is 7-hydroxy-3-(2-methoxyphenyl)-8-[(4-methylpiperidin-1-yl)methyl]chromen-4-one.
What is the SMILES notation for 7-hydroxy-3-(2-methoxyphenyl)-8-[(4-methylpiperidin-1-yl)methyl]chromen-4-one?
The canonical SMILES for 7-hydroxy-3-(2-methoxyphenyl)-8-[(4-methylpiperidin-1-yl)methyl]chromen-4-one is COc1ccccc1-c1coc2c(CN3CCC(C)CC3)c(O)ccc2c1=O.
What is the InChIKey of 7-hydroxy-3-(2-methoxyphenyl)-8-[(4-methylpiperidin-1-yl)methyl]chromen-4-one?
The InChIKey is DIPBHKKCKVWICC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25NO4/c1-15-9-11-24(12-10-15)13-18-20(25)8-7-17-22(26)19(14-28-23(17)18)16-5-3-4-6-21(16)27-2/h3-8,14-15,25H,9-13H2,1-2H3.
What are the key properties of 7-hydroxy-3-(2-methoxyphenyl)-8-[(4-methylpiperidin-1-yl)methyl]chromen-4-one?
7-hydroxy-3-(2-methoxyphenyl)-8-[(4-methylpiperidin-1-yl)methyl]chromen-4-one has a molecular weight of 379.46 g/mol, XLogP of 4.41, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-hydroxy-3-(2-methoxyphenyl)-8-[(4-methylpiperidin-1-yl)methyl]chromen-4-one is sourced from PubChem (CID 5348527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).