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

C22H23NO4 — CID 6052176

IUPAC7-hydroxy-3-(4-methoxyphenyl)-8-(piperidin-1-ylmethyl)chromen-4-one
SMILESCOc1ccc(-c2coc3c(CN4CCCCC4)c(O)ccc3c2=O)cc1
InChIInChI=1S/C22H23NO4/c1-26-16-7-5-15(6-8-16)19-14-27-22-17(21(19)25)9-10-20(24)18(22)13-23-11-3-2-4-12-23/h5-10,14,24H,2-4,11-13H2,1H3
InChIKeySSVOWZLFSMINRT-UHFFFAOYSA-N
MW365.43 g/mol
LogP4.16
Rot. Bonds4

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

7-hydroxy-3-(4-methoxyphenyl)-8-(piperidin-1-ylmethyl)chromen-4-one (PubChem CID 6052176) has the molecular formula C22H23NO4 and a molecular weight of 365.43 g/mol. Its IUPAC name is 7-hydroxy-3-(4-methoxyphenyl)-8-(piperidin-1-ylmethyl)chromen-4-one.

Molecular Properties

Compound Name7-hydroxy-3-(4-methoxyphenyl)-8-(piperidin-1-ylmethyl)chromen-4-one
PubChem CID6052176
Molecular FormulaC22H23NO4
Molecular Weight365.43 g/mol
Exact Mass365.16
IUPAC Name7-hydroxy-3-(4-methoxyphenyl)-8-(piperidin-1-ylmethyl)chromen-4-one
SMILESCOc1ccc(-c2coc3c(CN4CCCCC4)c(O)ccc3c2=O)cc1
InChIInChI=1S/C22H23NO4/c1-26-16-7-5-15(6-8-16)19-14-27-22-17(21(19)25)9-10-20(24)18(22)13-23-11-3-2-4-12-23/h5-10,14,24H,2-4,11-13H2,1H3
InChIKeySSVOWZLFSMINRT-UHFFFAOYSA-N
XLogP4.16
TPSA62.91 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.43
LogP ≤ 54.16
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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Related Compounds

7-hydroxy-3-(4-methoxyphenyl)-8-[[(3R)-3-methylpiperidin-1-yl]methyl]chromen-4-one
CID 6346016
7-hydroxy-6-methoxy-3-(4-methoxyphenyl)-8-(piperidin-1-ylmethyl)chromen-4-one
CID 134691567
3-(4-chlorophenyl)-7-hydroxy-8-(pyrrolidin-1-ylmethyl)chromen-4-one
CID 6043793
(1R,9R)-11-[[7-hydroxy-3-(4-methoxyphenyl)-4-oxochromen-8-yl]methyl]-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one
CID 98126185
7-hydroxy-8-(morpholin-4-ylmethyl)-3-phenylchromen-4-one;hydrochloride
CID 126476287
3-(4-chlorophenyl)-7-hydroxy-8-[[(3R)-3-methylpiperidin-1-yl]methyl]chromen-4-one
CID 5451612
8-[(4-benzylpiperazin-1-yl)methyl]-3-(4-chlorophenyl)-7-hydroxychromen-4-one
CID 5451602
7-hydroxy-8-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]-3-(2-methoxyphenyl)chromen-4-one
CID 5389856
8-(azepan-1-ylmethyl)-3-(3,5-dimethylphenoxy)-7-hydroxychromen-4-one
CID 5322342
5,7-dihydroxy-3-(4-hydroxyphenyl)-6-methoxy-8-(piperidin-1-ylmethyl)chromen-4-one
CID 11246498
7-hydroxy-3-(4-methoxyphenoxy)-8-[[(3R)-3-methylpiperidin-1-yl]methyl]chromen-4-one
CID 7542252
8-(azepan-1-ylmethyl)-3-(4-methoxyphenoxy)-4-oxochromen-7-olate
CID 1383524

Frequently Asked Questions

What is the IUPAC name of 7-hydroxy-3-(4-methoxyphenyl)-8-(piperidin-1-ylmethyl)chromen-4-one?
The IUPAC name of 7-hydroxy-3-(4-methoxyphenyl)-8-(piperidin-1-ylmethyl)chromen-4-one (CID 6052176) is 7-hydroxy-3-(4-methoxyphenyl)-8-(piperidin-1-ylmethyl)chromen-4-one.
What is the SMILES notation for 7-hydroxy-3-(4-methoxyphenyl)-8-(piperidin-1-ylmethyl)chromen-4-one?
The canonical SMILES for 7-hydroxy-3-(4-methoxyphenyl)-8-(piperidin-1-ylmethyl)chromen-4-one is COc1ccc(-c2coc3c(CN4CCCCC4)c(O)ccc3c2=O)cc1.
What is the InChIKey of 7-hydroxy-3-(4-methoxyphenyl)-8-(piperidin-1-ylmethyl)chromen-4-one?
The InChIKey is SSVOWZLFSMINRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23NO4/c1-26-16-7-5-15(6-8-16)19-14-27-22-17(21(19)25)9-10-20(24)18(22)13-23-11-3-2-4-12-23/h5-10,14,24H,2-4,11-13H2,1H3.
What are the key properties of 7-hydroxy-3-(4-methoxyphenyl)-8-(piperidin-1-ylmethyl)chromen-4-one?
7-hydroxy-3-(4-methoxyphenyl)-8-(piperidin-1-ylmethyl)chromen-4-one has a molecular weight of 365.43 g/mol, XLogP of 4.16, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-hydroxy-3-(4-methoxyphenyl)-8-(piperidin-1-ylmethyl)chromen-4-one is sourced from PubChem (CID 6052176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).