7-bromo-2-(1-cyclohexylpiperidin-4-yl)-5-fluoro-3H-isoindol-1-one

C19H24BrFN2O — CID 67194237

IUPAC7-bromo-2-(1-cyclohexylpiperidin-4-yl)-5-fluoro-3H-isoindol-1-one
SMILESO=C1c2c(Br)cc(F)cc2CN1C1CCN(C2CCCCC2)CC1
InChIInChI=1S/C19H24BrFN2O/c20-17-11-14(21)10-13-12-23(19(24)18(13)17)16-6-8-22(9-7-16)15-4-2-1-3-5-15/h10-11,15-16H,1-9,12H2
InChIKeyWKSINAWYHDVYNQ-UHFFFAOYSA-N
MW395.32 g/mol
LogP4.34
Rot. Bonds2

About 7-bromo-2-(1-cyclohexylpiperidin-4-yl)-5-fluoro-3H-isoindol-1-one

7-bromo-2-(1-cyclohexylpiperidin-4-yl)-5-fluoro-3H-isoindol-1-one (PubChem CID 67194237) has the molecular formula C19H24BrFN2O and a molecular weight of 395.32 g/mol. Its IUPAC name is 7-bromo-2-(1-cyclohexylpiperidin-4-yl)-5-fluoro-3H-isoindol-1-one.

Molecular Properties

Compound Name7-bromo-2-(1-cyclohexylpiperidin-4-yl)-5-fluoro-3H-isoindol-1-one
PubChem CID67194237
Molecular FormulaC19H24BrFN2O
Molecular Weight395.32 g/mol
Exact Mass394.11
IUPAC Name7-bromo-2-(1-cyclohexylpiperidin-4-yl)-5-fluoro-3H-isoindol-1-one
SMILESO=C1c2c(Br)cc(F)cc2CN1C1CCN(C2CCCCC2)CC1
InChIInChI=1S/C19H24BrFN2O/c20-17-11-14(21)10-13-12-23(19(24)18(13)17)16-6-8-22(9-7-16)15-4-2-1-3-5-15/h10-11,15-16H,1-9,12H2
InChIKeyWKSINAWYHDVYNQ-UHFFFAOYSA-N
XLogP4.34
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.32
LogP ≤ 54.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-[1-[(2-bromophenyl)methyl]piperidin-4-yl]-3-oxo-1H-isoindole-4-carboxamide
CID 50943089
2-[1-[(4-bromophenyl)methyl]piperidin-4-yl]-3-oxo-1H-isoindole-4-carboxamide
CID 50943163
2-[1-[(3-bromophenyl)methyl]piperidin-4-yl]-3-oxo-1H-isoindole-4-carboxamide
CID 67191629
(3-Bromophenyl)(4-(pyrrolidin-1-yl)piperidin-1-yl)methanone
CID 61041645
(2-Bromophenyl)-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone
CID 61041646
(3-Bromophenyl)-[4-(2,5-dihydropyrrol-1-yl)piperidin-1-yl]methanone
CID 90666887
4-Bromo-2-methylisoindolin-1-one
CID 21907534
7-Bromo-2-methylisoindolin-1-one
CID 71306073
7-bromo-5-fluoro-2,3-dihydro-1H-isoindol-1-one
CID 130064731
2-[1-(4-Fluorophenyl)-3-oxo-3-(piperidin-1-YL)propyl]-2,3-dihydro-1H-isoindol-1-one
CID 45106615
2-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-3H-isoindol-1-one
CID 134787589
Sdccgsbi-0662932.P001
CID 134788337

Frequently Asked Questions

What is the IUPAC name of 7-bromo-2-(1-cyclohexylpiperidin-4-yl)-5-fluoro-3H-isoindol-1-one?
The IUPAC name of 7-bromo-2-(1-cyclohexylpiperidin-4-yl)-5-fluoro-3H-isoindol-1-one (CID 67194237) is 7-bromo-2-(1-cyclohexylpiperidin-4-yl)-5-fluoro-3H-isoindol-1-one.
What is the SMILES notation for 7-bromo-2-(1-cyclohexylpiperidin-4-yl)-5-fluoro-3H-isoindol-1-one?
The canonical SMILES for 7-bromo-2-(1-cyclohexylpiperidin-4-yl)-5-fluoro-3H-isoindol-1-one is O=C1c2c(Br)cc(F)cc2CN1C1CCN(C2CCCCC2)CC1.
What is the InChIKey of 7-bromo-2-(1-cyclohexylpiperidin-4-yl)-5-fluoro-3H-isoindol-1-one?
The InChIKey is WKSINAWYHDVYNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24BrFN2O/c20-17-11-14(21)10-13-12-23(19(24)18(13)17)16-6-8-22(9-7-16)15-4-2-1-3-5-15/h10-11,15-16H,1-9,12H2.
What are the key properties of 7-bromo-2-(1-cyclohexylpiperidin-4-yl)-5-fluoro-3H-isoindol-1-one?
7-bromo-2-(1-cyclohexylpiperidin-4-yl)-5-fluoro-3H-isoindol-1-one has a molecular weight of 395.32 g/mol, XLogP of 4.34, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-2-(1-cyclohexylpiperidin-4-yl)-5-fluoro-3H-isoindol-1-one is sourced from PubChem (CID 67194237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).