1'-(3-fluorobenzoyl)spiro[3H-chromene-2,4'-piperidine]-4-one

C20H18FNO3 — CID 7260532

IUPAC1'-(3-fluorobenzoyl)spiro[3H-chromene-2,4'-piperidine]-4-one
SMILESO=C1CC2(CCN(C(=O)c3cccc(F)c3)CC2)Oc2ccccc21
InChIInChI=1S/C20H18FNO3/c21-15-5-3-4-14(12-15)19(24)22-10-8-20(9-11-22)13-17(23)16-6-1-2-7-18(16)25-20/h1-7,12H,8-11,13H2
InChIKeyNUNYFLNWBZFAOT-UHFFFAOYSA-N
MW339.37 g/mol
LogP3.47
Rot. Bonds1

About 1'-(3-fluorobenzoyl)spiro[3H-chromene-2,4'-piperidine]-4-one

1'-(3-fluorobenzoyl)spiro[3H-chromene-2,4'-piperidine]-4-one (PubChem CID 7260532) has the molecular formula C20H18FNO3 and a molecular weight of 339.37 g/mol. Its IUPAC name is 1'-(3-fluorobenzoyl)spiro[3H-chromene-2,4'-piperidine]-4-one.

Molecular Properties

Compound Name1'-(3-fluorobenzoyl)spiro[3H-chromene-2,4'-piperidine]-4-one
PubChem CID7260532
Molecular FormulaC20H18FNO3
Molecular Weight339.37 g/mol
Exact Mass339.13
IUPAC Name1'-(3-fluorobenzoyl)spiro[3H-chromene-2,4'-piperidine]-4-one
SMILESO=C1CC2(CCN(C(=O)c3cccc(F)c3)CC2)Oc2ccccc21
InChIInChI=1S/C20H18FNO3/c21-15-5-3-4-14(12-15)19(24)22-10-8-20(9-11-22)13-17(23)16-6-1-2-7-18(16)25-20/h1-7,12H,8-11,13H2
InChIKeyNUNYFLNWBZFAOT-UHFFFAOYSA-N
XLogP3.47
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.37
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1'-(3-fluorobenzoyl)spiro[3H-chromene-2,4'-piperidine]-4-one?
The IUPAC name of 1'-(3-fluorobenzoyl)spiro[3H-chromene-2,4'-piperidine]-4-one (CID 7260532) is 1'-(3-fluorobenzoyl)spiro[3H-chromene-2,4'-piperidine]-4-one.
What is the SMILES notation for 1'-(3-fluorobenzoyl)spiro[3H-chromene-2,4'-piperidine]-4-one?
The canonical SMILES for 1'-(3-fluorobenzoyl)spiro[3H-chromene-2,4'-piperidine]-4-one is O=C1CC2(CCN(C(=O)c3cccc(F)c3)CC2)Oc2ccccc21.
What is the InChIKey of 1'-(3-fluorobenzoyl)spiro[3H-chromene-2,4'-piperidine]-4-one?
The InChIKey is NUNYFLNWBZFAOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18FNO3/c21-15-5-3-4-14(12-15)19(24)22-10-8-20(9-11-22)13-17(23)16-6-1-2-7-18(16)25-20/h1-7,12H,8-11,13H2.
What are the key properties of 1'-(3-fluorobenzoyl)spiro[3H-chromene-2,4'-piperidine]-4-one?
1'-(3-fluorobenzoyl)spiro[3H-chromene-2,4'-piperidine]-4-one has a molecular weight of 339.37 g/mol, XLogP of 3.47, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-(3-fluorobenzoyl)spiro[3H-chromene-2,4'-piperidine]-4-one is sourced from PubChem (CID 7260532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).