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

C20H21FN2O — CID 134787589

IUPAC2-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-3H-isoindol-1-one
SMILESO=C1c2ccccc2CN1C1CCN(Cc2ccc(F)cc2)CC1
InChIInChI=1S/C20H21FN2O/c21-17-7-5-15(6-8-17)13-22-11-9-18(10-12-22)23-14-16-3-1-2-4-19(16)20(23)24/h1-8,18H,9-14H2
InChIKeyGGXMQMPOFPLUFD-UHFFFAOYSA-N
MW324.40 g/mol
LogP3.45
Rot. Bonds3

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

2-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-3H-isoindol-1-one (PubChem CID 134787589) has the molecular formula C20H21FN2O and a molecular weight of 324.40 g/mol. Its IUPAC name is 2-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-3H-isoindol-1-one.

Molecular Properties

Compound Name2-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-3H-isoindol-1-one
PubChem CID134787589
Molecular FormulaC20H21FN2O
Molecular Weight324.40 g/mol
Exact Mass324.16
IUPAC Name2-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-3H-isoindol-1-one
SMILESO=C1c2ccccc2CN1C1CCN(Cc2ccc(F)cc2)CC1
InChIInChI=1S/C20H21FN2O/c21-17-7-5-15(6-8-17)13-22-11-9-18(10-12-22)23-14-16-3-1-2-4-19(16)20(23)24/h1-8,18H,9-14H2
InChIKeyGGXMQMPOFPLUFD-UHFFFAOYSA-N
XLogP3.45
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.40
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-((1-(2-(4-Fluorophenyl)-2-oxoethyl)-4-piperidinyl)methyl)-2,3-dihydro-1H-isoindol-1-one
CID 9799284
Isopropylphthalimide
CID 67535
1,2,3,4,6,10B-Hexahydro-10B-phenylpyrimido(2,1-A)isoindol-6-one
CID 455111
Itareparib
CID 73774960
Pyrrolidine, 1-(o-benzoylbenzoyl)-
CID 208220
N,N'-Trimethylenediphthalimide
CID 248109
alpha-Phthalimidopropiophenone
CID 519663
N-Cyclohexylphthalimide
CID 225739
Nms-P118
CID 49843531
2-Benzylisoindolin-1-one
CID 1485883
2-[2-(4-fluorophenyl)-2-oxoethyl]-1H-isoindole-1,3(2H)-dione
CID 2815202
1H-Isoindole-1,3(2H)-dione, 2-(1-methylpropyl)-
CID 95380

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-3H-isoindol-1-one?
The IUPAC name of 2-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-3H-isoindol-1-one (CID 134787589) is 2-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-3H-isoindol-1-one.
What is the SMILES notation for 2-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-3H-isoindol-1-one?
The canonical SMILES for 2-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-3H-isoindol-1-one is O=C1c2ccccc2CN1C1CCN(Cc2ccc(F)cc2)CC1.
What is the InChIKey of 2-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-3H-isoindol-1-one?
The InChIKey is GGXMQMPOFPLUFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21FN2O/c21-17-7-5-15(6-8-17)13-22-11-9-18(10-12-22)23-14-16-3-1-2-4-19(16)20(23)24/h1-8,18H,9-14H2.
What are the key properties of 2-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-3H-isoindol-1-one?
2-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-3H-isoindol-1-one has a molecular weight of 324.40 g/mol, XLogP of 3.45, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-3H-isoindol-1-one is sourced from PubChem (CID 134787589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).