6-[5-(4-hydroxypiperidin-1-yl)pentoxy]-2-(3-methoxyphenyl)chromen-4-one

C26H31NO5 — CID 14983031

IUPAC6-[5-(4-hydroxypiperidin-1-yl)pentoxy]-2-(3-methoxyphenyl)chromen-4-one
SMILESCOc1cccc(-c2cc(=O)c3cc(OCCCCCN4CCC(O)CC4)ccc3o2)c1
InChIInChI=1S/C26H31NO5/c1-30-21-7-5-6-19(16-21)26-18-24(29)23-17-22(8-9-25(23)32-26)31-15-4-2-3-12-27-13-10-20(28)11-14-27/h5-9,16-18,20,28H,2-4,10-15H2,1H3
InChIKeyPOPCAXNXWKGYAL-UHFFFAOYSA-N
MW437.54 g/mol
LogP4.47
Rot. Bonds9

About 6-[5-(4-hydroxypiperidin-1-yl)pentoxy]-2-(3-methoxyphenyl)chromen-4-one

6-[5-(4-hydroxypiperidin-1-yl)pentoxy]-2-(3-methoxyphenyl)chromen-4-one (PubChem CID 14983031) has the molecular formula C26H31NO5 and a molecular weight of 437.54 g/mol. Its IUPAC name is 6-[5-(4-hydroxypiperidin-1-yl)pentoxy]-2-(3-methoxyphenyl)chromen-4-one.

Molecular Properties

Compound Name6-[5-(4-hydroxypiperidin-1-yl)pentoxy]-2-(3-methoxyphenyl)chromen-4-one
PubChem CID14983031
Molecular FormulaC26H31NO5
Molecular Weight437.54 g/mol
Exact Mass437.22
IUPAC Name6-[5-(4-hydroxypiperidin-1-yl)pentoxy]-2-(3-methoxyphenyl)chromen-4-one
SMILESCOc1cccc(-c2cc(=O)c3cc(OCCCCCN4CCC(O)CC4)ccc3o2)c1
InChIInChI=1S/C26H31NO5/c1-30-21-7-5-6-19(16-21)26-18-24(29)23-17-22(8-9-25(23)32-26)31-15-4-2-3-12-27-13-10-20(28)11-14-27/h5-9,16-18,20,28H,2-4,10-15H2,1H3
InChIKeyPOPCAXNXWKGYAL-UHFFFAOYSA-N
XLogP4.47
TPSA72.14 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.54
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

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1-{2-[2-Hydroxy-3-(morpholin-4-yl)propoxy]phenyl}-3-phenylpropan-1-one
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2-[[(3S)-1-azabicyclo[2.2.2]octan-3-yl]oxy]xanthen-9-one
CID 11186314
2-[[(3R)-1-azabicyclo[2.2.2]octan-3-yl]oxy]xanthen-9-one
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6-(2-Dimethylamino-ethoxy)-2-phenyl-chromen-4-one
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6-(4-Dimethylamino-butoxy)-2-phenyl-chromen-4-one
CID 14982951

Frequently Asked Questions

What is the IUPAC name of 6-[5-(4-hydroxypiperidin-1-yl)pentoxy]-2-(3-methoxyphenyl)chromen-4-one?
The IUPAC name of 6-[5-(4-hydroxypiperidin-1-yl)pentoxy]-2-(3-methoxyphenyl)chromen-4-one (CID 14983031) is 6-[5-(4-hydroxypiperidin-1-yl)pentoxy]-2-(3-methoxyphenyl)chromen-4-one.
What is the SMILES notation for 6-[5-(4-hydroxypiperidin-1-yl)pentoxy]-2-(3-methoxyphenyl)chromen-4-one?
The canonical SMILES for 6-[5-(4-hydroxypiperidin-1-yl)pentoxy]-2-(3-methoxyphenyl)chromen-4-one is COc1cccc(-c2cc(=O)c3cc(OCCCCCN4CCC(O)CC4)ccc3o2)c1.
What is the InChIKey of 6-[5-(4-hydroxypiperidin-1-yl)pentoxy]-2-(3-methoxyphenyl)chromen-4-one?
The InChIKey is POPCAXNXWKGYAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31NO5/c1-30-21-7-5-6-19(16-21)26-18-24(29)23-17-22(8-9-25(23)32-26)31-15-4-2-3-12-27-13-10-20(28)11-14-27/h5-9,16-18,20,28H,2-4,10-15H2,1H3.
What are the key properties of 6-[5-(4-hydroxypiperidin-1-yl)pentoxy]-2-(3-methoxyphenyl)chromen-4-one?
6-[5-(4-hydroxypiperidin-1-yl)pentoxy]-2-(3-methoxyphenyl)chromen-4-one has a molecular weight of 437.54 g/mol, XLogP of 4.47, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[5-(4-hydroxypiperidin-1-yl)pentoxy]-2-(3-methoxyphenyl)chromen-4-one is sourced from PubChem (CID 14983031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).