7-hydroxy-6-methoxy-3-(4-methoxyphenyl)-8-(piperidin-1-ylmethyl)chromen-4-one

C23H25NO5 — CID 134691567

IUPAC7-hydroxy-6-methoxy-3-(4-methoxyphenyl)-8-(piperidin-1-ylmethyl)chromen-4-one
SMILESCOc1ccc(-c2coc3c(CN4CCCCC4)c(O)c(OC)cc3c2=O)cc1
InChIInChI=1S/C23H25NO5/c1-27-16-8-6-15(7-9-16)19-14-29-23-17(21(19)25)12-20(28-2)22(26)18(23)13-24-10-4-3-5-11-24/h6-9,12,14,26H,3-5,10-11,13H2,1-2H3
InChIKeyGTIGFAXVJDGVBE-UHFFFAOYSA-N
MW395.46 g/mol
LogP4.17
Rot. Bonds5

About 7-hydroxy-6-methoxy-3-(4-methoxyphenyl)-8-(piperidin-1-ylmethyl)chromen-4-one

7-hydroxy-6-methoxy-3-(4-methoxyphenyl)-8-(piperidin-1-ylmethyl)chromen-4-one (PubChem CID 134691567) has the molecular formula C23H25NO5 and a molecular weight of 395.46 g/mol. Its IUPAC name is 7-hydroxy-6-methoxy-3-(4-methoxyphenyl)-8-(piperidin-1-ylmethyl)chromen-4-one.

Molecular Properties

Compound Name7-hydroxy-6-methoxy-3-(4-methoxyphenyl)-8-(piperidin-1-ylmethyl)chromen-4-one
PubChem CID134691567
Molecular FormulaC23H25NO5
Molecular Weight395.46 g/mol
Exact Mass395.17
IUPAC Name7-hydroxy-6-methoxy-3-(4-methoxyphenyl)-8-(piperidin-1-ylmethyl)chromen-4-one
SMILESCOc1ccc(-c2coc3c(CN4CCCCC4)c(O)c(OC)cc3c2=O)cc1
InChIInChI=1S/C23H25NO5/c1-27-16-8-6-15(7-9-16)19-14-29-23-17(21(19)25)12-20(28-2)22(26)18(23)13-24-10-4-3-5-11-24/h6-9,12,14,26H,3-5,10-11,13H2,1-2H3
InChIKeyGTIGFAXVJDGVBE-UHFFFAOYSA-N
XLogP4.17
TPSA72.14 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.46
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

7-hydroxy-3-(4-methoxyphenyl)-8-(piperidin-1-ylmethyl)chromen-4-one
CID 6052176
5,7-dihydroxy-3-(4-hydroxyphenyl)-6-methoxy-8-(piperidin-1-ylmethyl)chromen-4-one
CID 11246498
6,7-dimethoxy-3-[4-(piperidin-1-ylmethyl)phenyl]chromen-4-one
CID 141111806
7-hydroxy-3-(4-methoxyphenyl)-8-[[(3R)-3-methylpiperidin-1-yl]methyl]chromen-4-one
CID 6346016
3-(4-chlorophenyl)-7-hydroxy-8-(pyrrolidin-1-ylmethyl)chromen-4-one
CID 6043793
8-(azepan-1-ylmethyl)-3-(4-methoxyphenoxy)-4-oxochromen-7-olate
CID 1383524
5-hydroxy-6,7-dimethoxy-3-(4-methoxyphenyl)chromen-4-one
CID 10830108
3-(2,5-dimethoxyphenyl)-7-hydroxy-8-(piperidin-1-ylmethyl)chromen-2-one
CID 6235877
8-(azepan-1-ylmethyl)-6-ethyl-7-hydroxy-3-(4-methyl-1,3-thiazol-2-yl)chromen-4-one
CID 3757734
5,7-dihydroxy-6,8-bis(piperidin-1-ylmethyl)-3-[4-[(2R,3S,4R,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]chromen-4-one
CID 124898949
5-hydroxy-7,8-dimethoxy-3-(4-methoxyphenyl)chromen-4-one
CID 6708795
[3-(4-methoxyphenyl)-4-oxochromen-7-yl] pyrrolidine-1-carboxylate
CID 71664359

Frequently Asked Questions

What is the IUPAC name of 7-hydroxy-6-methoxy-3-(4-methoxyphenyl)-8-(piperidin-1-ylmethyl)chromen-4-one?
The IUPAC name of 7-hydroxy-6-methoxy-3-(4-methoxyphenyl)-8-(piperidin-1-ylmethyl)chromen-4-one (CID 134691567) is 7-hydroxy-6-methoxy-3-(4-methoxyphenyl)-8-(piperidin-1-ylmethyl)chromen-4-one.
What is the SMILES notation for 7-hydroxy-6-methoxy-3-(4-methoxyphenyl)-8-(piperidin-1-ylmethyl)chromen-4-one?
The canonical SMILES for 7-hydroxy-6-methoxy-3-(4-methoxyphenyl)-8-(piperidin-1-ylmethyl)chromen-4-one is COc1ccc(-c2coc3c(CN4CCCCC4)c(O)c(OC)cc3c2=O)cc1.
What is the InChIKey of 7-hydroxy-6-methoxy-3-(4-methoxyphenyl)-8-(piperidin-1-ylmethyl)chromen-4-one?
The InChIKey is GTIGFAXVJDGVBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25NO5/c1-27-16-8-6-15(7-9-16)19-14-29-23-17(21(19)25)12-20(28-2)22(26)18(23)13-24-10-4-3-5-11-24/h6-9,12,14,26H,3-5,10-11,13H2,1-2H3.
What are the key properties of 7-hydroxy-6-methoxy-3-(4-methoxyphenyl)-8-(piperidin-1-ylmethyl)chromen-4-one?
7-hydroxy-6-methoxy-3-(4-methoxyphenyl)-8-(piperidin-1-ylmethyl)chromen-4-one has a molecular weight of 395.46 g/mol, XLogP of 4.17, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-hydroxy-6-methoxy-3-(4-methoxyphenyl)-8-(piperidin-1-ylmethyl)chromen-4-one is sourced from PubChem (CID 134691567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).