7-(piperidin-4-ylmethoxy)chromen-2-one

C15H17NO3 — CID 26191137

IUPAC7-(piperidin-4-ylmethoxy)chromen-2-one
SMILESO=c1ccc2ccc(OCC3CCNCC3)cc2o1
InChIInChI=1S/C15H17NO3/c17-15-4-2-12-1-3-13(9-14(12)19-15)18-10-11-5-7-16-8-6-11/h1-4,9,11,16H,5-8,10H2
InChIKeyICROVGRUHKJRIN-UHFFFAOYSA-N
MW259.31 g/mol
LogP2.17
Rot. Bonds3

About 7-(piperidin-4-ylmethoxy)chromen-2-one

7-(piperidin-4-ylmethoxy)chromen-2-one (PubChem CID 26191137) has the molecular formula C15H17NO3 and a molecular weight of 259.31 g/mol. Its IUPAC name is 7-(piperidin-4-ylmethoxy)chromen-2-one.

Molecular Properties

Compound Name7-(piperidin-4-ylmethoxy)chromen-2-one
PubChem CID26191137
Molecular FormulaC15H17NO3
Molecular Weight259.31 g/mol
Exact Mass259.12
IUPAC Name7-(piperidin-4-ylmethoxy)chromen-2-one
SMILESO=c1ccc2ccc(OCC3CCNCC3)cc2o1
InChIInChI=1S/C15H17NO3/c17-15-4-2-12-1-3-13(9-14(12)19-15)18-10-11-5-7-16-8-6-11/h1-4,9,11,16H,5-8,10H2
InChIKeyICROVGRUHKJRIN-UHFFFAOYSA-N
XLogP2.17
TPSA51.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 7-(piperidin-4-ylmethoxy)chromen-2-one?
The IUPAC name of 7-(piperidin-4-ylmethoxy)chromen-2-one (CID 26191137) is 7-(piperidin-4-ylmethoxy)chromen-2-one.
What is the SMILES notation for 7-(piperidin-4-ylmethoxy)chromen-2-one?
The canonical SMILES for 7-(piperidin-4-ylmethoxy)chromen-2-one is O=c1ccc2ccc(OCC3CCNCC3)cc2o1.
What is the InChIKey of 7-(piperidin-4-ylmethoxy)chromen-2-one?
The InChIKey is ICROVGRUHKJRIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO3/c17-15-4-2-12-1-3-13(9-14(12)19-15)18-10-11-5-7-16-8-6-11/h1-4,9,11,16H,5-8,10H2.
What are the key properties of 7-(piperidin-4-ylmethoxy)chromen-2-one?
7-(piperidin-4-ylmethoxy)chromen-2-one has a molecular weight of 259.31 g/mol, XLogP of 2.17, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(piperidin-4-ylmethoxy)chromen-2-one is sourced from PubChem (CID 26191137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).