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

C16H19NO3 — CID 5360358

IUPAC7-hydroxy-4-methyl-8-(piperidin-1-ylmethyl)chromen-2-one
SMILESCc1cc(=O)oc2c(CN3CCCCC3)c(O)ccc12
InChIInChI=1S/C16H19NO3/c1-11-9-15(19)20-16-12(11)5-6-14(18)13(16)10-17-7-3-2-4-8-17/h5-6,9,18H,2-4,7-8,10H2,1H3
InChIKeyDIJMIZCQAHRDQL-UHFFFAOYSA-N
MW273.33 g/mol
LogP2.79
Rot. Bonds2

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

7-hydroxy-4-methyl-8-(piperidin-1-ylmethyl)chromen-2-one (PubChem CID 5360358) has the molecular formula C16H19NO3 and a molecular weight of 273.33 g/mol. Its IUPAC name is 7-hydroxy-4-methyl-8-(piperidin-1-ylmethyl)chromen-2-one.

Molecular Properties

Compound Name7-hydroxy-4-methyl-8-(piperidin-1-ylmethyl)chromen-2-one
PubChem CID5360358
Molecular FormulaC16H19NO3
Molecular Weight273.33 g/mol
Exact Mass273.14
IUPAC Name7-hydroxy-4-methyl-8-(piperidin-1-ylmethyl)chromen-2-one
SMILESCc1cc(=O)oc2c(CN3CCCCC3)c(O)ccc12
InChIInChI=1S/C16H19NO3/c1-11-9-15(19)20-16-12(11)5-6-14(18)13(16)10-17-7-3-2-4-8-17/h5-6,9,18H,2-4,7-8,10H2,1H3
InChIKeyDIJMIZCQAHRDQL-UHFFFAOYSA-N
XLogP2.79
TPSA53.68 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.33
LogP ≤ 52.79
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'}

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Frequently Asked Questions

What is the IUPAC name of 7-hydroxy-4-methyl-8-(piperidin-1-ylmethyl)chromen-2-one?
The IUPAC name of 7-hydroxy-4-methyl-8-(piperidin-1-ylmethyl)chromen-2-one (CID 5360358) is 7-hydroxy-4-methyl-8-(piperidin-1-ylmethyl)chromen-2-one.
What is the SMILES notation for 7-hydroxy-4-methyl-8-(piperidin-1-ylmethyl)chromen-2-one?
The canonical SMILES for 7-hydroxy-4-methyl-8-(piperidin-1-ylmethyl)chromen-2-one is Cc1cc(=O)oc2c(CN3CCCCC3)c(O)ccc12.
What is the InChIKey of 7-hydroxy-4-methyl-8-(piperidin-1-ylmethyl)chromen-2-one?
The InChIKey is DIJMIZCQAHRDQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO3/c1-11-9-15(19)20-16-12(11)5-6-14(18)13(16)10-17-7-3-2-4-8-17/h5-6,9,18H,2-4,7-8,10H2,1H3.
What are the key properties of 7-hydroxy-4-methyl-8-(piperidin-1-ylmethyl)chromen-2-one?
7-hydroxy-4-methyl-8-(piperidin-1-ylmethyl)chromen-2-one has a molecular weight of 273.33 g/mol, XLogP of 2.79, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-hydroxy-4-methyl-8-(piperidin-1-ylmethyl)chromen-2-one is sourced from PubChem (CID 5360358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).