6-methoxy-3-piperidin-1-ylbenzo[f]chromen-1-one

C19H19NO3 — CID 135052964

IUPAC6-methoxy-3-piperidin-1-ylbenzo[f]chromen-1-one
SMILESCOc1cc2oc(N3CCCCC3)cc(=O)c2c2ccccc12
InChIInChI=1S/C19H19NO3/c1-22-16-12-17-19(14-8-4-3-7-13(14)16)15(21)11-18(23-17)20-9-5-2-6-10-20/h3-4,7-8,11-12H,2,5-6,9-10H2,1H3
InChIKeyWJTSFXCPHMRWIE-UHFFFAOYSA-N
MW309.37 g/mol
LogP3.95
Rot. Bonds2

About 6-methoxy-3-piperidin-1-ylbenzo[f]chromen-1-one

6-methoxy-3-piperidin-1-ylbenzo[f]chromen-1-one (PubChem CID 135052964) has the molecular formula C19H19NO3 and a molecular weight of 309.37 g/mol. Its IUPAC name is 6-methoxy-3-piperidin-1-ylbenzo[f]chromen-1-one.

Molecular Properties

Compound Name6-methoxy-3-piperidin-1-ylbenzo[f]chromen-1-one
PubChem CID135052964
Molecular FormulaC19H19NO3
Molecular Weight309.37 g/mol
Exact Mass309.14
IUPAC Name6-methoxy-3-piperidin-1-ylbenzo[f]chromen-1-one
SMILESCOc1cc2oc(N3CCCCC3)cc(=O)c2c2ccccc12
InChIInChI=1S/C19H19NO3/c1-22-16-12-17-19(14-8-4-3-7-13(14)16)15(21)11-18(23-17)20-9-5-2-6-10-20/h3-4,7-8,11-12H,2,5-6,9-10H2,1H3
InChIKeyWJTSFXCPHMRWIE-UHFFFAOYSA-N
XLogP3.95
TPSA42.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 53.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-methoxy-3-piperidin-1-ylbenzo[f]chromen-1-one?
The IUPAC name of 6-methoxy-3-piperidin-1-ylbenzo[f]chromen-1-one (CID 135052964) is 6-methoxy-3-piperidin-1-ylbenzo[f]chromen-1-one.
What is the SMILES notation for 6-methoxy-3-piperidin-1-ylbenzo[f]chromen-1-one?
The canonical SMILES for 6-methoxy-3-piperidin-1-ylbenzo[f]chromen-1-one is COc1cc2oc(N3CCCCC3)cc(=O)c2c2ccccc12.
What is the InChIKey of 6-methoxy-3-piperidin-1-ylbenzo[f]chromen-1-one?
The InChIKey is WJTSFXCPHMRWIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19NO3/c1-22-16-12-17-19(14-8-4-3-7-13(14)16)15(21)11-18(23-17)20-9-5-2-6-10-20/h3-4,7-8,11-12H,2,5-6,9-10H2,1H3.
What are the key properties of 6-methoxy-3-piperidin-1-ylbenzo[f]chromen-1-one?
6-methoxy-3-piperidin-1-ylbenzo[f]chromen-1-one has a molecular weight of 309.37 g/mol, XLogP of 3.95, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-3-piperidin-1-ylbenzo[f]chromen-1-one is sourced from PubChem (CID 135052964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).