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

C21H20FNO4 — CID 7260607

IUPAC1'-[2-(2-fluorophenoxy)acetyl]spiro[3H-chromene-2,4'-piperidine]-4-one
SMILESO=C1CC2(CCN(C(=O)COc3ccccc3F)CC2)Oc2ccccc21
InChIInChI=1S/C21H20FNO4/c22-16-6-2-4-8-19(16)26-14-20(25)23-11-9-21(10-12-23)13-17(24)15-5-1-3-7-18(15)27-21/h1-8H,9-14H2
InChIKeyHYRWDAPVFNSODG-UHFFFAOYSA-N
MW369.39 g/mol
LogP3.23
Rot. Bonds3

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

1'-[2-(2-fluorophenoxy)acetyl]spiro[3H-chromene-2,4'-piperidine]-4-one (PubChem CID 7260607) has the molecular formula C21H20FNO4 and a molecular weight of 369.39 g/mol. Its IUPAC name is 1'-[2-(2-fluorophenoxy)acetyl]spiro[3H-chromene-2,4'-piperidine]-4-one.

Molecular Properties

Compound Name1'-[2-(2-fluorophenoxy)acetyl]spiro[3H-chromene-2,4'-piperidine]-4-one
PubChem CID7260607
Molecular FormulaC21H20FNO4
Molecular Weight369.39 g/mol
Exact Mass369.14
IUPAC Name1'-[2-(2-fluorophenoxy)acetyl]spiro[3H-chromene-2,4'-piperidine]-4-one
SMILESO=C1CC2(CCN(C(=O)COc3ccccc3F)CC2)Oc2ccccc21
InChIInChI=1S/C21H20FNO4/c22-16-6-2-4-8-19(16)26-14-20(25)23-11-9-21(10-12-23)13-17(24)15-5-1-3-7-18(15)27-21/h1-8H,9-14H2
InChIKeyHYRWDAPVFNSODG-UHFFFAOYSA-N
XLogP3.23
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.39
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1'-[2-(2-fluorophenoxy)acetyl]spiro[3H-chromene-2,4'-piperidine]-4-one?
The IUPAC name of 1'-[2-(2-fluorophenoxy)acetyl]spiro[3H-chromene-2,4'-piperidine]-4-one (CID 7260607) is 1'-[2-(2-fluorophenoxy)acetyl]spiro[3H-chromene-2,4'-piperidine]-4-one.
What is the SMILES notation for 1'-[2-(2-fluorophenoxy)acetyl]spiro[3H-chromene-2,4'-piperidine]-4-one?
The canonical SMILES for 1'-[2-(2-fluorophenoxy)acetyl]spiro[3H-chromene-2,4'-piperidine]-4-one is O=C1CC2(CCN(C(=O)COc3ccccc3F)CC2)Oc2ccccc21.
What is the InChIKey of 1'-[2-(2-fluorophenoxy)acetyl]spiro[3H-chromene-2,4'-piperidine]-4-one?
The InChIKey is HYRWDAPVFNSODG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20FNO4/c22-16-6-2-4-8-19(16)26-14-20(25)23-11-9-21(10-12-23)13-17(24)15-5-1-3-7-18(15)27-21/h1-8H,9-14H2.
What are the key properties of 1'-[2-(2-fluorophenoxy)acetyl]spiro[3H-chromene-2,4'-piperidine]-4-one?
1'-[2-(2-fluorophenoxy)acetyl]spiro[3H-chromene-2,4'-piperidine]-4-one has a molecular weight of 369.39 g/mol, XLogP of 3.23, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-[2-(2-fluorophenoxy)acetyl]spiro[3H-chromene-2,4'-piperidine]-4-one is sourced from PubChem (CID 7260607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).