6-fluoro-5-[4-[(1-phenylpiperidin-4-yl)methyl]piperazin-1-yl]-2,3-dihydroisoindol-1-one

C24H29FN4O — CID 156802463

IUPAC6-fluoro-5-[4-[(1-phenylpiperidin-4-yl)methyl]piperazin-1-yl]-2,3-dihydroisoindol-1-one
SMILESO=C1NCc2cc(N3CCN(CC4CCN(c5ccccc5)CC4)CC3)c(F)cc21
InChIInChI=1S/C24H29FN4O/c25-22-15-21-19(16-26-24(21)30)14-23(22)29-12-10-27(11-13-29)17-18-6-8-28(9-7-18)20-4-2-1-3-5-20/h1-5,14-15,18H,6-13,16-17H2,(H,26,30)
InChIKeySOXTVYBDEYKBGG-UHFFFAOYSA-N
MW408.52 g/mol
LogP3.11
Rot. Bonds4

About 6-fluoro-5-[4-[(1-phenylpiperidin-4-yl)methyl]piperazin-1-yl]-2,3-dihydroisoindol-1-one

6-fluoro-5-[4-[(1-phenylpiperidin-4-yl)methyl]piperazin-1-yl]-2,3-dihydroisoindol-1-one (PubChem CID 156802463) has the molecular formula C24H29FN4O and a molecular weight of 408.52 g/mol. Its IUPAC name is 6-fluoro-5-[4-[(1-phenylpiperidin-4-yl)methyl]piperazin-1-yl]-2,3-dihydroisoindol-1-one.

Molecular Properties

Compound Name6-fluoro-5-[4-[(1-phenylpiperidin-4-yl)methyl]piperazin-1-yl]-2,3-dihydroisoindol-1-one
PubChem CID156802463
Molecular FormulaC24H29FN4O
Molecular Weight408.52 g/mol
Exact Mass408.23
IUPAC Name6-fluoro-5-[4-[(1-phenylpiperidin-4-yl)methyl]piperazin-1-yl]-2,3-dihydroisoindol-1-one
SMILESO=C1NCc2cc(N3CCN(CC4CCN(c5ccccc5)CC4)CC3)c(F)cc21
InChIInChI=1S/C24H29FN4O/c25-22-15-21-19(16-26-24(21)30)14-23(22)29-12-10-27(11-13-29)17-18-6-8-28(9-7-18)20-4-2-1-3-5-20/h1-5,14-15,18H,6-13,16-17H2,(H,26,30)
InChIKeySOXTVYBDEYKBGG-UHFFFAOYSA-N
XLogP3.11
TPSA38.82 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.52
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 6-fluoro-5-[4-[(1-phenylpiperidin-4-yl)methyl]piperazin-1-yl]-2,3-dihydroisoindol-1-one with MolForge

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Related Compounds

5-[4-[[1-(3-fluorophenyl)piperidin-4-yl]methyl]piperazin-1-yl]-2,3-dihydroisoindol-1-one
CID 170706047
6-fluoro-5-[4-[[1-[2-fluoro-4-(7-hydroxy-3-phenyl-3,4-dihydro-2H-chromen-4-yl)phenyl]piperidin-4-yl]methyl]piperazin-1-yl]-2,3-dihydroisoindol-1-one;piperidine-2,6-dione
CID 178026532
butane;ethane;5-[4-[[1-[2-fluoro-4-(7-hydroxy-3-phenyl-3,4-dihydro-2H-chromen-4-yl)phenyl]piperidin-4-yl]methyl]piperazin-1-yl]-2,3-dihydroisoindol-1-one
CID 156802456
5-[4-[[1-[2-fluoro-4-[3-(4-fluorophenyl)-7-hydroxy-3,4-dihydro-2H-chromen-4-yl]phenyl]piperidin-4-yl]methyl]piperazin-1-yl]-2,3-dihydroisoindol-1-one
CID 174264799
4-[4-[[1-[6-fluoro-2-(2-hydroxy-6-oxopiperidin-3-yl)-3-oxo-1H-isoindol-5-yl]piperidin-4-yl]methyl]piperazin-1-yl]benzoic acid
CID 134441254
butane;1-[(1-methylpiperidin-4-yl)methyl]-4-phenylpiperazine
CID 171069804
ethane;1-[(1-phenylpiperidin-4-yl)methyl]-4-(piperidin-4-ylmethyl)piperazine;propane
CID 171069899
5-[4-[[1-[4-[(3S)-7-hydroxy-3-phenyl-3,4-dihydro-2H-chromen-4-yl]phenyl]piperidin-4-yl]methyl]piperazin-1-yl]-2,3-dihydroisoindol-1-one;piperidine-2,6-dione
CID 178026535
3-[5-fluoro-6-[4-[[1-[4-[(3S,4R)-7-hydroxy-3-phenyl-3,4-dihydro-2H-chromen-4-yl]phenyl]piperidin-4-yl]methyl]piperazin-1-yl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 155172483
4-[4-[[4-[2-[(3S)-2,6-dioxopiperidin-3-yl]-1,3-dioxoisoindol-5-yl]piperazin-1-yl]methyl]piperidin-1-yl]-3-fluorobenzoic acid
CID 155296798
ethane;5-[[1-(3-methoxyphenyl)piperidin-4-yl]methyl]-9-oxa-2,5,14-triazatetracyclo[8.7.0.02,7.012,16]heptadeca-1(10),11,16-trien-13-one;N-methyl-5-oxopentanamide;(6R)-6-phenyl-5,6,7,8-tetrahydronaphthalen-2-ol
CID 170729643
benzyl 4-[[4-(4-amino-2-fluoro-5-methoxyphenyl)piperazin-1-yl]methyl]piperidine-1-carboxylate
CID 177199474

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-5-[4-[(1-phenylpiperidin-4-yl)methyl]piperazin-1-yl]-2,3-dihydroisoindol-1-one?
The IUPAC name of 6-fluoro-5-[4-[(1-phenylpiperidin-4-yl)methyl]piperazin-1-yl]-2,3-dihydroisoindol-1-one (CID 156802463) is 6-fluoro-5-[4-[(1-phenylpiperidin-4-yl)methyl]piperazin-1-yl]-2,3-dihydroisoindol-1-one.
What is the SMILES notation for 6-fluoro-5-[4-[(1-phenylpiperidin-4-yl)methyl]piperazin-1-yl]-2,3-dihydroisoindol-1-one?
The canonical SMILES for 6-fluoro-5-[4-[(1-phenylpiperidin-4-yl)methyl]piperazin-1-yl]-2,3-dihydroisoindol-1-one is O=C1NCc2cc(N3CCN(CC4CCN(c5ccccc5)CC4)CC3)c(F)cc21.
What is the InChIKey of 6-fluoro-5-[4-[(1-phenylpiperidin-4-yl)methyl]piperazin-1-yl]-2,3-dihydroisoindol-1-one?
The InChIKey is SOXTVYBDEYKBGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29FN4O/c25-22-15-21-19(16-26-24(21)30)14-23(22)29-12-10-27(11-13-29)17-18-6-8-28(9-7-18)20-4-2-1-3-5-20/h1-5,14-15,18H,6-13,16-17H2,(H,26,30).
What are the key properties of 6-fluoro-5-[4-[(1-phenylpiperidin-4-yl)methyl]piperazin-1-yl]-2,3-dihydroisoindol-1-one?
6-fluoro-5-[4-[(1-phenylpiperidin-4-yl)methyl]piperazin-1-yl]-2,3-dihydroisoindol-1-one has a molecular weight of 408.52 g/mol, XLogP of 3.11, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-5-[4-[(1-phenylpiperidin-4-yl)methyl]piperazin-1-yl]-2,3-dihydroisoindol-1-one is sourced from PubChem (CID 156802463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).