2-[(5-fluoroisoindol-2-yl)methyl]-5-[(1-propanoylpiperidin-4-yl)methoxy]pyran-4-one

C23H25FN2O4 — CID 135151861

IUPAC2-[(5-fluoroisoindol-2-yl)methyl]-5-[(1-propanoylpiperidin-4-yl)methoxy]pyran-4-one
SMILESCCC(=O)N1CCC(COc2coc(Cn3cc4ccc(F)cc4c3)cc2=O)CC1
InChIInChI=1S/C23H25FN2O4/c1-2-23(28)26-7-5-16(6-8-26)14-30-22-15-29-20(10-21(22)27)13-25-11-17-3-4-19(24)9-18(17)12-25/h3-4,9-12,15-16H,2,5-8,13-14H2,1H3
InChIKeyHLCFUIXLEDCKTR-UHFFFAOYSA-N
MW412.46 g/mol
LogP3.81
Rot. Bonds6

About 2-[(5-fluoroisoindol-2-yl)methyl]-5-[(1-propanoylpiperidin-4-yl)methoxy]pyran-4-one

2-[(5-fluoroisoindol-2-yl)methyl]-5-[(1-propanoylpiperidin-4-yl)methoxy]pyran-4-one (PubChem CID 135151861) has the molecular formula C23H25FN2O4 and a molecular weight of 412.46 g/mol. Its IUPAC name is 2-[(5-fluoroisoindol-2-yl)methyl]-5-[(1-propanoylpiperidin-4-yl)methoxy]pyran-4-one.

Molecular Properties

Compound Name2-[(5-fluoroisoindol-2-yl)methyl]-5-[(1-propanoylpiperidin-4-yl)methoxy]pyran-4-one
PubChem CID135151861
Molecular FormulaC23H25FN2O4
Molecular Weight412.46 g/mol
Exact Mass412.18
IUPAC Name2-[(5-fluoroisoindol-2-yl)methyl]-5-[(1-propanoylpiperidin-4-yl)methoxy]pyran-4-one
SMILESCCC(=O)N1CCC(COc2coc(Cn3cc4ccc(F)cc4c3)cc2=O)CC1
InChIInChI=1S/C23H25FN2O4/c1-2-23(28)26-7-5-16(6-8-26)14-30-22-15-29-20(10-21(22)27)13-25-11-17-3-4-19(24)9-18(17)12-25/h3-4,9-12,15-16H,2,5-8,13-14H2,1H3
InChIKeyHLCFUIXLEDCKTR-UHFFFAOYSA-N
XLogP3.81
TPSA64.68 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.46
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-[(5-fluoroisoindol-2-yl)methyl]-5-[(1-propanoylpiperidin-4-yl)methoxy]pyran-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-[(1-methylsulfonylpiperidin-4-yl)methoxy]-2-[[5-(trifluoromethyl)isoindol-2-yl]methyl]pyran-4-one
CID 135152101
4-[2-[6-(isoindol-2-ylmethyl)-4-oxopyran-3-yl]oxyethyl]piperidine-1-carboxylic acid
CID 154989491
2-(1,3-dihydroisoindol-2-ylmethyl)-5-[(1-methylsulfonylpiperidin-4-yl)methoxy]pyran-4-one;2-(isoindol-2-ylmethyl)-5-[(1-methylsulfonylpiperidin-4-yl)methoxy]pyran-4-one
CID 159163372
4-[[6-(1,3-dihydroisoindol-2-ylmethyl)-4-oxopyran-3-yl]oxymethyl]piperidine-1-carboxylic acid
CID 135152201
2-(1,3-dihydroisoindol-2-ylmethyl)-5-[[1-(2,2-dimethylpropanoyl)piperidin-4-yl]methoxy]pyran-4-one
CID 135151944
ethyl 2-[4-[[6-(1,3-dihydroisoindol-2-ylmethyl)-4-oxopyran-3-yl]oxymethyl]piperidin-1-yl]-2-oxoacetate
CID 135152214
5-[(4-acetylcyclohexyl)methoxy]-2-(1,3-dihydroisoindol-2-ylmethyl)pyran-4-one
CID 135151933
2-[[4-(3-cyclopentylpropanoyl)piperazin-1-yl]methyl]-5-[(4-fluorophenyl)methoxy]pyran-4-one
CID 46083977
5-[(4-fluorophenyl)methoxy]-2-[(4-heptanoylpiperazin-1-yl)methyl]pyran-4-one
CID 46083985
4-[[6-(1,3-dihydroisoindol-2-ylmethyl)-4-oxopyran-3-yl]oxymethyl]piperidine-1-carbaldehyde;hydrochloride
CID 175836802
2-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-5-[2-(4-methylpiperidin-1-yl)-2-oxoethoxy]pyran-4-one
CID 7292899
methyl 4-[4-[(2-tert-butyl-4-fluorophenoxy)methyl]piperidin-1-yl]-4-oxobutanoate
CID 59577152

Frequently Asked Questions

What is the IUPAC name of 2-[(5-fluoroisoindol-2-yl)methyl]-5-[(1-propanoylpiperidin-4-yl)methoxy]pyran-4-one?
The IUPAC name of 2-[(5-fluoroisoindol-2-yl)methyl]-5-[(1-propanoylpiperidin-4-yl)methoxy]pyran-4-one (CID 135151861) is 2-[(5-fluoroisoindol-2-yl)methyl]-5-[(1-propanoylpiperidin-4-yl)methoxy]pyran-4-one.
What is the SMILES notation for 2-[(5-fluoroisoindol-2-yl)methyl]-5-[(1-propanoylpiperidin-4-yl)methoxy]pyran-4-one?
The canonical SMILES for 2-[(5-fluoroisoindol-2-yl)methyl]-5-[(1-propanoylpiperidin-4-yl)methoxy]pyran-4-one is CCC(=O)N1CCC(COc2coc(Cn3cc4ccc(F)cc4c3)cc2=O)CC1.
What is the InChIKey of 2-[(5-fluoroisoindol-2-yl)methyl]-5-[(1-propanoylpiperidin-4-yl)methoxy]pyran-4-one?
The InChIKey is HLCFUIXLEDCKTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25FN2O4/c1-2-23(28)26-7-5-16(6-8-26)14-30-22-15-29-20(10-21(22)27)13-25-11-17-3-4-19(24)9-18(17)12-25/h3-4,9-12,15-16H,2,5-8,13-14H2,1H3.
What are the key properties of 2-[(5-fluoroisoindol-2-yl)methyl]-5-[(1-propanoylpiperidin-4-yl)methoxy]pyran-4-one?
2-[(5-fluoroisoindol-2-yl)methyl]-5-[(1-propanoylpiperidin-4-yl)methoxy]pyran-4-one has a molecular weight of 412.46 g/mol, XLogP of 3.81, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-fluoroisoindol-2-yl)methyl]-5-[(1-propanoylpiperidin-4-yl)methoxy]pyran-4-one is sourced from PubChem (CID 135151861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).