5-hydroxy-7-methyl-4-phenyl-6-(piperidin-1-ylmethyl)chromen-2-one;hydrochloride

C22H24ClNO3 — CID 45370810

IUPAC5-hydroxy-7-methyl-4-phenyl-6-(piperidin-1-ylmethyl)chromen-2-one;hydrochloride
SMILESCc1cc2oc(=O)cc(-c3ccccc3)c2c(O)c1CN1CCCCC1.Cl
InChIInChI=1S/C22H23NO3.ClH/c1-15-12-19-21(22(25)18(15)14-23-10-6-3-7-11-23)17(13-20(24)26-19)16-8-4-2-5-9-16;/h2,4-5,8-9,12-13,25H,3,6-7,10-11,14H2,1H3;1H
InChIKeyLYVGNKMWOORTIC-UHFFFAOYSA-N
MW385.89 g/mol
LogP4.88
Rot. Bonds3

About 5-hydroxy-7-methyl-4-phenyl-6-(piperidin-1-ylmethyl)chromen-2-one;hydrochloride

5-hydroxy-7-methyl-4-phenyl-6-(piperidin-1-ylmethyl)chromen-2-one;hydrochloride (PubChem CID 45370810) has the molecular formula C22H24ClNO3 and a molecular weight of 385.89 g/mol. Its IUPAC name is 5-hydroxy-7-methyl-4-phenyl-6-(piperidin-1-ylmethyl)chromen-2-one;hydrochloride.

Molecular Properties

Compound Name5-hydroxy-7-methyl-4-phenyl-6-(piperidin-1-ylmethyl)chromen-2-one;hydrochloride
PubChem CID45370810
Molecular FormulaC22H24ClNO3
Molecular Weight385.89 g/mol
Exact Mass385.14
IUPAC Name5-hydroxy-7-methyl-4-phenyl-6-(piperidin-1-ylmethyl)chromen-2-one;hydrochloride
SMILESCc1cc2oc(=O)cc(-c3ccccc3)c2c(O)c1CN1CCCCC1.Cl
InChIInChI=1S/C22H23NO3.ClH/c1-15-12-19-21(22(25)18(15)14-23-10-6-3-7-11-23)17(13-20(24)26-19)16-8-4-2-5-9-16;/h2,4-5,8-9,12-13,25H,3,6-7,10-11,14H2,1H3;1H
InChIKeyLYVGNKMWOORTIC-UHFFFAOYSA-N
XLogP4.88
TPSA53.68 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.89
LogP ≤ 54.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 5-hydroxy-7-methyl-4-phenyl-6-(piperidin-1-ylmethyl)chromen-2-one;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-7-methyl-4-phenyl-6-(piperidin-1-ylmethyl)chromen-2-one;hydrochloride?
The IUPAC name of 5-hydroxy-7-methyl-4-phenyl-6-(piperidin-1-ylmethyl)chromen-2-one;hydrochloride (CID 45370810) is 5-hydroxy-7-methyl-4-phenyl-6-(piperidin-1-ylmethyl)chromen-2-one;hydrochloride.
What is the SMILES notation for 5-hydroxy-7-methyl-4-phenyl-6-(piperidin-1-ylmethyl)chromen-2-one;hydrochloride?
The canonical SMILES for 5-hydroxy-7-methyl-4-phenyl-6-(piperidin-1-ylmethyl)chromen-2-one;hydrochloride is Cc1cc2oc(=O)cc(-c3ccccc3)c2c(O)c1CN1CCCCC1.Cl.
What is the InChIKey of 5-hydroxy-7-methyl-4-phenyl-6-(piperidin-1-ylmethyl)chromen-2-one;hydrochloride?
The InChIKey is LYVGNKMWOORTIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23NO3.ClH/c1-15-12-19-21(22(25)18(15)14-23-10-6-3-7-11-23)17(13-20(24)26-19)16-8-4-2-5-9-16;/h2,4-5,8-9,12-13,25H,3,6-7,10-11,14H2,1H3;1H.
What are the key properties of 5-hydroxy-7-methyl-4-phenyl-6-(piperidin-1-ylmethyl)chromen-2-one;hydrochloride?
5-hydroxy-7-methyl-4-phenyl-6-(piperidin-1-ylmethyl)chromen-2-one;hydrochloride has a molecular weight of 385.89 g/mol, XLogP of 4.88, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-7-methyl-4-phenyl-6-(piperidin-1-ylmethyl)chromen-2-one;hydrochloride is sourced from PubChem (CID 45370810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).