5-fluoro-2-[[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]methyl]-3H-isoindol-1-one

C22H24F2N2O — CID 21078262

IUPAC5-fluoro-2-[[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]methyl]-3H-isoindol-1-one
SMILESO=C1c2ccc(F)cc2CN1CC1CCN(CCc2ccc(F)cc2)CC1
InChIInChI=1S/C22H24F2N2O/c23-19-3-1-16(2-4-19)7-10-25-11-8-17(9-12-25)14-26-15-18-13-20(24)5-6-21(18)22(26)27/h1-6,13,17H,7-12,14-15H2
InChIKeyQZBCBCBUTYTCNC-UHFFFAOYSA-N
MW370.44 g/mol
LogP3.88
Rot. Bonds5

About 5-fluoro-2-[[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]methyl]-3H-isoindol-1-one

5-fluoro-2-[[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]methyl]-3H-isoindol-1-one (PubChem CID 21078262) has the molecular formula C22H24F2N2O and a molecular weight of 370.44 g/mol. Its IUPAC name is 5-fluoro-2-[[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]methyl]-3H-isoindol-1-one.

Molecular Properties

Compound Name5-fluoro-2-[[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]methyl]-3H-isoindol-1-one
PubChem CID21078262
Molecular FormulaC22H24F2N2O
Molecular Weight370.44 g/mol
Exact Mass370.19
IUPAC Name5-fluoro-2-[[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]methyl]-3H-isoindol-1-one
SMILESO=C1c2ccc(F)cc2CN1CC1CCN(CCc2ccc(F)cc2)CC1
InChIInChI=1S/C22H24F2N2O/c23-19-3-1-16(2-4-19)7-10-25-11-8-17(9-12-25)14-26-15-18-13-20(24)5-6-21(18)22(26)27/h1-6,13,17H,7-12,14-15H2
InChIKeyQZBCBCBUTYTCNC-UHFFFAOYSA-N
XLogP3.88
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.44
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

5-bromo-2-[[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]methyl]-3H-isoindol-1-one
CID 21078241
5-bromo-2-[[1-[2-(4-fluorophenyl)-2-oxoethyl]piperidin-4-yl]methyl]-3H-isoindol-1-one;hydrochloride
CID 21078239
2-[[1-[2-(4-fluoro-N-methylanilino)ethyl]piperidin-4-yl]methyl]-3H-isoindol-1-one;hydrochloride
CID 21078142
2-[[1-[2-(4-fluorophenyl)prop-2-enyl]piperidin-4-yl]methyl]-3H-isoindol-1-one;hydrochloride
CID 21078082
[2-[4-[(6-bromo-3-oxo-1H-isoindol-2-yl)methyl]piperidin-1-yl]-1-(4-fluorophenyl)ethyl] acetate;hydrochloride
CID 21078303
2-[[1-[(2Z)-2-(2,4-difluorophenyl)-2-hydroxyiminoethyl]piperidin-4-yl]methyl]-3H-isoindol-1-one
CID 87800697
5-bromo-2-(cyclopropylmethyl)-3H-isoindol-1-one
CID 23158277
2-[[1-[(6-fluoro-1,2-benzoxazol-3-yl)methyl]piperidin-4-yl]methyl]-3H-isoindol-1-one;hydrochloride
CID 21078206
1-(4-fluorophenyl)-2-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]ethanone
CID 10360079
6-bromo-2-[[1-[2-(4-fluorophenyl)-2-oxoethyl]piperidin-4-yl]methyl]-3H-isoindol-1-one;hydrochloride
CID 21078276
but-2-enedioic acid;2-[[1-[2-(3-fluorophenyl)sulfanylethyl]piperidin-4-yl]methyl]-3H-isoindol-1-one
CID 69371267
2-(cyclopropylmethyl)-5-methyl-3H-isoindol-1-one;ethene
CID 144549653

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-[[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]methyl]-3H-isoindol-1-one?
The IUPAC name of 5-fluoro-2-[[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]methyl]-3H-isoindol-1-one (CID 21078262) is 5-fluoro-2-[[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]methyl]-3H-isoindol-1-one.
What is the SMILES notation for 5-fluoro-2-[[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]methyl]-3H-isoindol-1-one?
The canonical SMILES for 5-fluoro-2-[[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]methyl]-3H-isoindol-1-one is O=C1c2ccc(F)cc2CN1CC1CCN(CCc2ccc(F)cc2)CC1.
What is the InChIKey of 5-fluoro-2-[[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]methyl]-3H-isoindol-1-one?
The InChIKey is QZBCBCBUTYTCNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24F2N2O/c23-19-3-1-16(2-4-19)7-10-25-11-8-17(9-12-25)14-26-15-18-13-20(24)5-6-21(18)22(26)27/h1-6,13,17H,7-12,14-15H2.
What are the key properties of 5-fluoro-2-[[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]methyl]-3H-isoindol-1-one?
5-fluoro-2-[[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]methyl]-3H-isoindol-1-one has a molecular weight of 370.44 g/mol, XLogP of 3.88, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-[[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]methyl]-3H-isoindol-1-one is sourced from PubChem (CID 21078262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).