7-(4-fluorophenyl)-4-(3-piperidin-1-ylpropoxy)chromen-2-one

C23H24FNO3 — CID 175333168

IUPAC7-(4-fluorophenyl)-4-(3-piperidin-1-ylpropoxy)chromen-2-one
SMILESO=c1cc(OCCCN2CCCCC2)c2ccc(-c3ccc(F)cc3)cc2o1
InChIInChI=1S/C23H24FNO3/c24-19-8-5-17(6-9-19)18-7-10-20-21(16-23(26)28-22(20)15-18)27-14-4-13-25-11-2-1-3-12-25/h5-10,15-16H,1-4,11-14H2
InChIKeyUXKVFFHFMZMZJC-UHFFFAOYSA-N
MW381.45 g/mol
LogP4.85
Rot. Bonds6

About 7-(4-fluorophenyl)-4-(3-piperidin-1-ylpropoxy)chromen-2-one

7-(4-fluorophenyl)-4-(3-piperidin-1-ylpropoxy)chromen-2-one (PubChem CID 175333168) has the molecular formula C23H24FNO3 and a molecular weight of 381.45 g/mol. Its IUPAC name is 7-(4-fluorophenyl)-4-(3-piperidin-1-ylpropoxy)chromen-2-one.

Molecular Properties

Compound Name7-(4-fluorophenyl)-4-(3-piperidin-1-ylpropoxy)chromen-2-one
PubChem CID175333168
Molecular FormulaC23H24FNO3
Molecular Weight381.45 g/mol
Exact Mass381.17
IUPAC Name7-(4-fluorophenyl)-4-(3-piperidin-1-ylpropoxy)chromen-2-one
SMILESO=c1cc(OCCCN2CCCCC2)c2ccc(-c3ccc(F)cc3)cc2o1
InChIInChI=1S/C23H24FNO3/c24-19-8-5-17(6-9-19)18-7-10-20-21(16-23(26)28-22(20)15-18)27-14-4-13-25-11-2-1-3-12-25/h5-10,15-16H,1-4,11-14H2
InChIKeyUXKVFFHFMZMZJC-UHFFFAOYSA-N
XLogP4.85
TPSA42.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.45
LogP ≤ 54.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 7-(4-fluorophenyl)-4-(3-piperidin-1-ylpropoxy)chromen-2-one?
The IUPAC name of 7-(4-fluorophenyl)-4-(3-piperidin-1-ylpropoxy)chromen-2-one (CID 175333168) is 7-(4-fluorophenyl)-4-(3-piperidin-1-ylpropoxy)chromen-2-one.
What is the SMILES notation for 7-(4-fluorophenyl)-4-(3-piperidin-1-ylpropoxy)chromen-2-one?
The canonical SMILES for 7-(4-fluorophenyl)-4-(3-piperidin-1-ylpropoxy)chromen-2-one is O=c1cc(OCCCN2CCCCC2)c2ccc(-c3ccc(F)cc3)cc2o1.
What is the InChIKey of 7-(4-fluorophenyl)-4-(3-piperidin-1-ylpropoxy)chromen-2-one?
The InChIKey is UXKVFFHFMZMZJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24FNO3/c24-19-8-5-17(6-9-19)18-7-10-20-21(16-23(26)28-22(20)15-18)27-14-4-13-25-11-2-1-3-12-25/h5-10,15-16H,1-4,11-14H2.
What are the key properties of 7-(4-fluorophenyl)-4-(3-piperidin-1-ylpropoxy)chromen-2-one?
7-(4-fluorophenyl)-4-(3-piperidin-1-ylpropoxy)chromen-2-one has a molecular weight of 381.45 g/mol, XLogP of 4.85, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(4-fluorophenyl)-4-(3-piperidin-1-ylpropoxy)chromen-2-one is sourced from PubChem (CID 175333168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).