6-fluoro-1'-(3-methoxy-4-propan-2-yloxybenzoyl)spiro[3H-chromene-2,4'-piperidine]-4-one

C24H26FNO5 — CID 130364196

IUPAC6-fluoro-1'-(3-methoxy-4-propan-2-yloxybenzoyl)spiro[3H-chromene-2,4'-piperidine]-4-one
SMILESCOc1cc(C(=O)N2CCC3(CC2)CC(=O)c2cc(F)ccc2O3)ccc1OC(C)C
InChIInChI=1S/C24H26FNO5/c1-15(2)30-21-6-4-16(12-22(21)29-3)23(28)26-10-8-24(9-11-26)14-19(27)18-13-17(25)5-7-20(18)31-24/h4-7,12-13,15H,8-11,14H2,1-3H3
InChIKeyJBSQGYCPUIJKNJ-UHFFFAOYSA-N
MW427.47 g/mol
LogP4.26
Rot. Bonds4

About 6-fluoro-1'-(3-methoxy-4-propan-2-yloxybenzoyl)spiro[3H-chromene-2,4'-piperidine]-4-one

6-fluoro-1'-(3-methoxy-4-propan-2-yloxybenzoyl)spiro[3H-chromene-2,4'-piperidine]-4-one (PubChem CID 130364196) has the molecular formula C24H26FNO5 and a molecular weight of 427.47 g/mol. Its IUPAC name is 6-fluoro-1'-(3-methoxy-4-propan-2-yloxybenzoyl)spiro[3H-chromene-2,4'-piperidine]-4-one.

Molecular Properties

Compound Name6-fluoro-1'-(3-methoxy-4-propan-2-yloxybenzoyl)spiro[3H-chromene-2,4'-piperidine]-4-one
PubChem CID130364196
Molecular FormulaC24H26FNO5
Molecular Weight427.47 g/mol
Exact Mass427.18
IUPAC Name6-fluoro-1'-(3-methoxy-4-propan-2-yloxybenzoyl)spiro[3H-chromene-2,4'-piperidine]-4-one
SMILESCOc1cc(C(=O)N2CCC3(CC2)CC(=O)c2cc(F)ccc2O3)ccc1OC(C)C
InChIInChI=1S/C24H26FNO5/c1-15(2)30-21-6-4-16(12-22(21)29-3)23(28)26-10-8-24(9-11-26)14-19(27)18-13-17(25)5-7-20(18)31-24/h4-7,12-13,15H,8-11,14H2,1-3H3
InChIKeyJBSQGYCPUIJKNJ-UHFFFAOYSA-N
XLogP4.26
TPSA65.07 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.47
LogP ≤ 54.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 6-fluoro-1'-(3-methoxy-4-propan-2-yloxybenzoyl)spiro[3H-chromene-2,4'-piperidine]-4-one with MolForge

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Related Compounds

(1-ethyl-8-fluorospiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)-(3-methoxy-4-propan-2-yloxyphenyl)methanone
CID 58551812
1'-benzoyl-6-fluorospiro[3H-chromene-2,4'-piperidine]-4-one
CID 125498789
6-chloro-1'-(3,4-dimethoxybenzoyl)-7-methylspiro[3H-chromene-2,4'-piperidine]-4-one
CID 108758412
1'-(3,4-dimethoxybenzoyl)-7,8-dimethoxyspiro[3H-chromene-2,4'-piperidine]-4-one
CID 108762616
(6-fluorospiro[3,4-dihydrochromene-2,4'-piperidine]-1'-yl)-[3-(methylaminomethyl)-4-propan-2-yloxyphenyl]methanone
CID 130371312
1'-(2,5-difluorobenzoyl)-6-methoxyspiro[3H-chromene-2,4'-piperidine]-4-one
CID 108735739
[(4S)-6-fluoro-4-hydroxyspiro[3,4-dihydrochromene-2,4'-piperidine]-1'-yl]-(3-methyl-4-propan-2-yloxyphenyl)methanone;molecular hydrogen
CID 158002391
[4-(6-methoxy-4-oxospiro[3H-chromene-2,4'-piperidine]-1'-carbonyl)phenyl] acetate
CID 108735604
3,9-diazaspiro[5.5]undecan-3-yl-(3-methoxy-4-propan-2-yloxyphenyl)methanone
CID 119047693
(3-methoxy-4-propan-2-yloxyphenyl)-(1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)methanone
CID 54670653
1'-(2H-benzotriazole-5-carbonyl)-5-methoxyspiro[3H-chromene-2,4'-piperidine]-4-one
CID 46884680
6-fluoro-1',1'-dimethylspiro[3H-chromene-2,4'-cyclohexane]-4-one
CID 114672216

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-1'-(3-methoxy-4-propan-2-yloxybenzoyl)spiro[3H-chromene-2,4'-piperidine]-4-one?
The IUPAC name of 6-fluoro-1'-(3-methoxy-4-propan-2-yloxybenzoyl)spiro[3H-chromene-2,4'-piperidine]-4-one (CID 130364196) is 6-fluoro-1'-(3-methoxy-4-propan-2-yloxybenzoyl)spiro[3H-chromene-2,4'-piperidine]-4-one.
What is the SMILES notation for 6-fluoro-1'-(3-methoxy-4-propan-2-yloxybenzoyl)spiro[3H-chromene-2,4'-piperidine]-4-one?
The canonical SMILES for 6-fluoro-1'-(3-methoxy-4-propan-2-yloxybenzoyl)spiro[3H-chromene-2,4'-piperidine]-4-one is COc1cc(C(=O)N2CCC3(CC2)CC(=O)c2cc(F)ccc2O3)ccc1OC(C)C.
What is the InChIKey of 6-fluoro-1'-(3-methoxy-4-propan-2-yloxybenzoyl)spiro[3H-chromene-2,4'-piperidine]-4-one?
The InChIKey is JBSQGYCPUIJKNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26FNO5/c1-15(2)30-21-6-4-16(12-22(21)29-3)23(28)26-10-8-24(9-11-26)14-19(27)18-13-17(25)5-7-20(18)31-24/h4-7,12-13,15H,8-11,14H2,1-3H3.
What are the key properties of 6-fluoro-1'-(3-methoxy-4-propan-2-yloxybenzoyl)spiro[3H-chromene-2,4'-piperidine]-4-one?
6-fluoro-1'-(3-methoxy-4-propan-2-yloxybenzoyl)spiro[3H-chromene-2,4'-piperidine]-4-one has a molecular weight of 427.47 g/mol, XLogP of 4.26, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-1'-(3-methoxy-4-propan-2-yloxybenzoyl)spiro[3H-chromene-2,4'-piperidine]-4-one is sourced from PubChem (CID 130364196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).