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

C21H20FNO4 — CID 7260608

IUPAC1'-[2-(4-fluorophenoxy)acetyl]spiro[3H-chromene-2,4'-piperidine]-4-one
SMILESO=C1CC2(CCN(C(=O)COc3ccc(F)cc3)CC2)Oc2ccccc21
InChIInChI=1S/C21H20FNO4/c22-15-5-7-16(8-6-15)26-14-20(25)23-11-9-21(10-12-23)13-18(24)17-3-1-2-4-19(17)27-21/h1-8H,9-14H2
InChIKeyHDBBGHZHFGJAKM-UHFFFAOYSA-N
MW369.39 g/mol
LogP3.23
Rot. Bonds3

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

1'-[2-(4-fluorophenoxy)acetyl]spiro[3H-chromene-2,4'-piperidine]-4-one (PubChem CID 7260608) has the molecular formula C21H20FNO4 and a molecular weight of 369.39 g/mol. Its IUPAC name is 1'-[2-(4-fluorophenoxy)acetyl]spiro[3H-chromene-2,4'-piperidine]-4-one.

Molecular Properties

Compound Name1'-[2-(4-fluorophenoxy)acetyl]spiro[3H-chromene-2,4'-piperidine]-4-one
PubChem CID7260608
Molecular FormulaC21H20FNO4
Molecular Weight369.39 g/mol
Exact Mass369.14
IUPAC Name1'-[2-(4-fluorophenoxy)acetyl]spiro[3H-chromene-2,4'-piperidine]-4-one
SMILESO=C1CC2(CCN(C(=O)COc3ccc(F)cc3)CC2)Oc2ccccc21
InChIInChI=1S/C21H20FNO4/c22-15-5-7-16(8-6-15)26-14-20(25)23-11-9-21(10-12-23)13-18(24)17-3-1-2-4-19(17)27-21/h1-8H,9-14H2
InChIKeyHDBBGHZHFGJAKM-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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Related Compounds

2-(4-Benzoylphenoxy)-1-(morpholin-4-yl)ethan-1-one
CID 2457115
N-methylspiro[2H-1-benzopyran-2,4'-piperidine]4(3H)-one
CID 1233903
1'-Benzylspiro[chroman-2,4'-piperidin]-4-one
CID 2427316
2-(4-Benzyl-piperidin-1-ylmethyl)-chroman-4-one
CID 11245709
3-(4-Benzyl-piperidin-1-ylmethyl)-chroman-4-one
CID 11773145
2-[2-(4-Fluoro-3-{[4-(2-phenoxypropanoyl)piperazin-1-yl]carbonyl}phenyl)ethoxy]benzamide
CID 25218494
Spiro-chromanone scaffold, 1
CID 44143287
1-(4-Fluorophenyl)-4-(6-methoxyspiro[3,4-dihydrochromene-2,4'-piperidine]-1'-yl)butan-1-one
CID 10873003
2-[1-(2-Phenylethyl)piperidin-4-yl]-2,3-dihydrochromen-4-one
CID 45487215
N-[2-(4-fluorophenyl)ethyl]-4-oxochromene-2-carboxamide
CID 2349172
2-[2-Oxo-2-(1,2,3,4-tetrahydroisoquinolin-2-yl)ethoxy]benzamide
CID 2474690
1'-(3-Fluorobenzoyl)spiro[chroman-2,4'-piperidin]-4-one
CID 7260532

Frequently Asked Questions

What is the IUPAC name of 1'-[2-(4-fluorophenoxy)acetyl]spiro[3H-chromene-2,4'-piperidine]-4-one?
The IUPAC name of 1'-[2-(4-fluorophenoxy)acetyl]spiro[3H-chromene-2,4'-piperidine]-4-one (CID 7260608) is 1'-[2-(4-fluorophenoxy)acetyl]spiro[3H-chromene-2,4'-piperidine]-4-one.
What is the SMILES notation for 1'-[2-(4-fluorophenoxy)acetyl]spiro[3H-chromene-2,4'-piperidine]-4-one?
The canonical SMILES for 1'-[2-(4-fluorophenoxy)acetyl]spiro[3H-chromene-2,4'-piperidine]-4-one is O=C1CC2(CCN(C(=O)COc3ccc(F)cc3)CC2)Oc2ccccc21.
What is the InChIKey of 1'-[2-(4-fluorophenoxy)acetyl]spiro[3H-chromene-2,4'-piperidine]-4-one?
The InChIKey is HDBBGHZHFGJAKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20FNO4/c22-15-5-7-16(8-6-15)26-14-20(25)23-11-9-21(10-12-23)13-18(24)17-3-1-2-4-19(17)27-21/h1-8H,9-14H2.
What are the key properties of 1'-[2-(4-fluorophenoxy)acetyl]spiro[3H-chromene-2,4'-piperidine]-4-one?
1'-[2-(4-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-(4-fluorophenoxy)acetyl]spiro[3H-chromene-2,4'-piperidine]-4-one is sourced from PubChem (CID 7260608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).