1-(4-fluorophenyl)-4-(6-methoxyspiro[3,4-dihydrochromene-2,4'-piperidine]-1'-yl)butan-1-one

C24H28FNO3 — CID 10873003

IUPAC1-(4-fluorophenyl)-4-(6-methoxyspiro[3,4-dihydrochromene-2,4'-piperidine]-1'-yl)butan-1-one
SMILESCOc1ccc2c(c1)CCC1(CCN(CCCC(=O)c3ccc(F)cc3)CC1)O2
InChIInChI=1S/C24H28FNO3/c1-28-21-8-9-23-19(17-21)10-11-24(29-23)12-15-26(16-13-24)14-2-3-22(27)18-4-6-20(25)7-5-18/h4-9,17H,2-3,10-16H2,1H3
InChIKeyFPWBHZULGMGZGF-UHFFFAOYSA-N
MW397.49 g/mol
LogP4.66
Rot. Bonds6

About 1-(4-fluorophenyl)-4-(6-methoxyspiro[3,4-dihydrochromene-2,4'-piperidine]-1'-yl)butan-1-one

1-(4-fluorophenyl)-4-(6-methoxyspiro[3,4-dihydrochromene-2,4'-piperidine]-1'-yl)butan-1-one (PubChem CID 10873003) has the molecular formula C24H28FNO3 and a molecular weight of 397.49 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-4-(6-methoxyspiro[3,4-dihydrochromene-2,4'-piperidine]-1'-yl)butan-1-one.

Molecular Properties

Compound Name1-(4-fluorophenyl)-4-(6-methoxyspiro[3,4-dihydrochromene-2,4'-piperidine]-1'-yl)butan-1-one
PubChem CID10873003
Molecular FormulaC24H28FNO3
Molecular Weight397.49 g/mol
Exact Mass397.21
IUPAC Name1-(4-fluorophenyl)-4-(6-methoxyspiro[3,4-dihydrochromene-2,4'-piperidine]-1'-yl)butan-1-one
SMILESCOc1ccc2c(c1)CCC1(CCN(CCCC(=O)c3ccc(F)cc3)CC1)O2
InChIInChI=1S/C24H28FNO3/c1-28-21-8-9-23-19(17-21)10-11-24(29-23)12-15-26(16-13-24)14-2-3-22(27)18-4-6-20(25)7-5-18/h4-9,17H,2-3,10-16H2,1H3
InChIKeyFPWBHZULGMGZGF-UHFFFAOYSA-N
XLogP4.66
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.49
LogP ≤ 54.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-methylspiro[2H-1-benzopyran-2,4'-piperidine]4(3H)-one
CID 1233903
1'-Benzylspiro[chroman-2,4'-piperidin]-4-one
CID 2427316
Spiro[chroman-2,4'-piperidin]-1'-yl(4-(trifluoromethyl)phenyl)methanone
CID 44583353
2-(4-Benzyl-piperidin-1-ylmethyl)-chroman-4-one
CID 11245709
3-(4-Benzyl-piperidin-1-ylmethyl)-chroman-4-one
CID 11773145
Spiro-chromanone scaffold, 1
CID 44143287
1''-(2,4-Difluorophenethyl)-6-methoxyspiro[chroman-2,4''-piperidine]
CID 44364616
2-[1-(2-Phenylethyl)piperidin-4-yl]-2,3-dihydrochromen-4-one
CID 45487215
1'-(3-Fluorobenzoyl)spiro[chroman-2,4'-piperidin]-4-one
CID 7260532
1'-(3,4-Difluorobenzoyl)spiro[chroman-2,4'-piperidin]-4-one
CID 7260543
Sigma-LIGAND-1
CID 9890959
2-[[(3S)-1-azabicyclo[2.2.2]octan-3-yl]oxy]xanthen-9-one
CID 11186314

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-4-(6-methoxyspiro[3,4-dihydrochromene-2,4'-piperidine]-1'-yl)butan-1-one?
The IUPAC name of 1-(4-fluorophenyl)-4-(6-methoxyspiro[3,4-dihydrochromene-2,4'-piperidine]-1'-yl)butan-1-one (CID 10873003) is 1-(4-fluorophenyl)-4-(6-methoxyspiro[3,4-dihydrochromene-2,4'-piperidine]-1'-yl)butan-1-one.
What is the SMILES notation for 1-(4-fluorophenyl)-4-(6-methoxyspiro[3,4-dihydrochromene-2,4'-piperidine]-1'-yl)butan-1-one?
The canonical SMILES for 1-(4-fluorophenyl)-4-(6-methoxyspiro[3,4-dihydrochromene-2,4'-piperidine]-1'-yl)butan-1-one is COc1ccc2c(c1)CCC1(CCN(CCCC(=O)c3ccc(F)cc3)CC1)O2.
What is the InChIKey of 1-(4-fluorophenyl)-4-(6-methoxyspiro[3,4-dihydrochromene-2,4'-piperidine]-1'-yl)butan-1-one?
The InChIKey is FPWBHZULGMGZGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28FNO3/c1-28-21-8-9-23-19(17-21)10-11-24(29-23)12-15-26(16-13-24)14-2-3-22(27)18-4-6-20(25)7-5-18/h4-9,17H,2-3,10-16H2,1H3.
What are the key properties of 1-(4-fluorophenyl)-4-(6-methoxyspiro[3,4-dihydrochromene-2,4'-piperidine]-1'-yl)butan-1-one?
1-(4-fluorophenyl)-4-(6-methoxyspiro[3,4-dihydrochromene-2,4'-piperidine]-1'-yl)butan-1-one has a molecular weight of 397.49 g/mol, XLogP of 4.66, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-4-(6-methoxyspiro[3,4-dihydrochromene-2,4'-piperidine]-1'-yl)butan-1-one is sourced from PubChem (CID 10873003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).