5,7-dimethoxy-2-(4-piperidin-4-yloxyphenyl)chromen-4-one

C22H23NO5 — CID 90681388

IUPAC5,7-dimethoxy-2-(4-piperidin-4-yloxyphenyl)chromen-4-one
SMILESCOc1cc(OC)c2c(=O)cc(-c3ccc(OC4CCNCC4)cc3)oc2c1
InChIInChI=1S/C22H23NO5/c1-25-17-11-20(26-2)22-18(24)13-19(28-21(22)12-17)14-3-5-15(6-4-14)27-16-7-9-23-10-8-16/h3-6,11-13,16,23H,7-10H2,1-2H3
InChIKeyPWVVULNKYMDYGA-UHFFFAOYSA-N
MW381.43 g/mol
LogP3.61
Rot. Bonds5

About 5,7-dimethoxy-2-(4-piperidin-4-yloxyphenyl)chromen-4-one

5,7-dimethoxy-2-(4-piperidin-4-yloxyphenyl)chromen-4-one (PubChem CID 90681388) has the molecular formula C22H23NO5 and a molecular weight of 381.43 g/mol. Its IUPAC name is 5,7-dimethoxy-2-(4-piperidin-4-yloxyphenyl)chromen-4-one.

Molecular Properties

Compound Name5,7-dimethoxy-2-(4-piperidin-4-yloxyphenyl)chromen-4-one
PubChem CID90681388
Molecular FormulaC22H23NO5
Molecular Weight381.43 g/mol
Exact Mass381.16
IUPAC Name5,7-dimethoxy-2-(4-piperidin-4-yloxyphenyl)chromen-4-one
SMILESCOc1cc(OC)c2c(=O)cc(-c3ccc(OC4CCNCC4)cc3)oc2c1
InChIInChI=1S/C22H23NO5/c1-25-17-11-20(26-2)22-18(24)13-19(28-21(22)12-17)14-3-5-15(6-4-14)27-16-7-9-23-10-8-16/h3-6,11-13,16,23H,7-10H2,1-2H3
InChIKeyPWVVULNKYMDYGA-UHFFFAOYSA-N
XLogP3.61
TPSA69.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.43
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5,7-dimethoxy-2-(4-piperidin-4-yloxyphenyl)chromen-4-one?
The IUPAC name of 5,7-dimethoxy-2-(4-piperidin-4-yloxyphenyl)chromen-4-one (CID 90681388) is 5,7-dimethoxy-2-(4-piperidin-4-yloxyphenyl)chromen-4-one.
What is the SMILES notation for 5,7-dimethoxy-2-(4-piperidin-4-yloxyphenyl)chromen-4-one?
The canonical SMILES for 5,7-dimethoxy-2-(4-piperidin-4-yloxyphenyl)chromen-4-one is COc1cc(OC)c2c(=O)cc(-c3ccc(OC4CCNCC4)cc3)oc2c1.
What is the InChIKey of 5,7-dimethoxy-2-(4-piperidin-4-yloxyphenyl)chromen-4-one?
The InChIKey is PWVVULNKYMDYGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23NO5/c1-25-17-11-20(26-2)22-18(24)13-19(28-21(22)12-17)14-3-5-15(6-4-14)27-16-7-9-23-10-8-16/h3-6,11-13,16,23H,7-10H2,1-2H3.
What are the key properties of 5,7-dimethoxy-2-(4-piperidin-4-yloxyphenyl)chromen-4-one?
5,7-dimethoxy-2-(4-piperidin-4-yloxyphenyl)chromen-4-one has a molecular weight of 381.43 g/mol, XLogP of 3.61, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-dimethoxy-2-(4-piperidin-4-yloxyphenyl)chromen-4-one is sourced from PubChem (CID 90681388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).