7-hydroxy-2-methyl-3-phenyl-8-(piperidin-1-ylmethyl)chromen-4-one

C22H23NO3 — CID 5361809

IUPAC7-hydroxy-2-methyl-3-phenyl-8-(piperidin-1-ylmethyl)chromen-4-one
SMILESCc1oc2c(CN3CCCCC3)c(O)ccc2c(=O)c1-c1ccccc1
InChIInChI=1S/C22H23NO3/c1-15-20(16-8-4-2-5-9-16)21(25)17-10-11-19(24)18(22(17)26-15)14-23-12-6-3-7-13-23/h2,4-5,8-11,24H,3,6-7,12-14H2,1H3
InChIKeyCNZJZAABODREQK-UHFFFAOYSA-N
MW349.43 g/mol
LogP4.46
Rot. Bonds3

About 7-hydroxy-2-methyl-3-phenyl-8-(piperidin-1-ylmethyl)chromen-4-one

7-hydroxy-2-methyl-3-phenyl-8-(piperidin-1-ylmethyl)chromen-4-one (PubChem CID 5361809) has the molecular formula C22H23NO3 and a molecular weight of 349.43 g/mol. Its IUPAC name is 7-hydroxy-2-methyl-3-phenyl-8-(piperidin-1-ylmethyl)chromen-4-one.

Molecular Properties

Compound Name7-hydroxy-2-methyl-3-phenyl-8-(piperidin-1-ylmethyl)chromen-4-one
PubChem CID5361809
Molecular FormulaC22H23NO3
Molecular Weight349.43 g/mol
Exact Mass349.17
IUPAC Name7-hydroxy-2-methyl-3-phenyl-8-(piperidin-1-ylmethyl)chromen-4-one
SMILESCc1oc2c(CN3CCCCC3)c(O)ccc2c(=O)c1-c1ccccc1
InChIInChI=1S/C22H23NO3/c1-15-20(16-8-4-2-5-9-16)21(25)17-10-11-19(24)18(22(17)26-15)14-23-12-6-3-7-13-23/h2,4-5,8-11,24H,3,6-7,12-14H2,1H3
InChIKeyCNZJZAABODREQK-UHFFFAOYSA-N
XLogP4.46
TPSA53.68 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.43
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-2-methyl-3-phenyl-8-(piperidin-1-ylmethyl)chromen-4-one?
The IUPAC name of 7-hydroxy-2-methyl-3-phenyl-8-(piperidin-1-ylmethyl)chromen-4-one (CID 5361809) is 7-hydroxy-2-methyl-3-phenyl-8-(piperidin-1-ylmethyl)chromen-4-one.
What is the SMILES notation for 7-hydroxy-2-methyl-3-phenyl-8-(piperidin-1-ylmethyl)chromen-4-one?
The canonical SMILES for 7-hydroxy-2-methyl-3-phenyl-8-(piperidin-1-ylmethyl)chromen-4-one is Cc1oc2c(CN3CCCCC3)c(O)ccc2c(=O)c1-c1ccccc1.
What is the InChIKey of 7-hydroxy-2-methyl-3-phenyl-8-(piperidin-1-ylmethyl)chromen-4-one?
The InChIKey is CNZJZAABODREQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23NO3/c1-15-20(16-8-4-2-5-9-16)21(25)17-10-11-19(24)18(22(17)26-15)14-23-12-6-3-7-13-23/h2,4-5,8-11,24H,3,6-7,12-14H2,1H3.
What are the key properties of 7-hydroxy-2-methyl-3-phenyl-8-(piperidin-1-ylmethyl)chromen-4-one?
7-hydroxy-2-methyl-3-phenyl-8-(piperidin-1-ylmethyl)chromen-4-one has a molecular weight of 349.43 g/mol, XLogP of 4.46, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-hydroxy-2-methyl-3-phenyl-8-(piperidin-1-ylmethyl)chromen-4-one is sourced from PubChem (CID 5361809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).