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

C20H19FN2O2 — CID 134788337

IUPAC2-[1-(2-fluorobenzoyl)piperidin-4-yl]-3H-isoindol-1-one
SMILESO=C(c1ccccc1F)N1CCC(N2Cc3ccccc3C2=O)CC1
InChIInChI=1S/C20H19FN2O2/c21-18-8-4-3-7-17(18)19(24)22-11-9-15(10-12-22)23-13-14-5-1-2-6-16(14)20(23)25/h1-8,15H,9-13H2
InChIKeyHLIZIIUZEWTRDY-UHFFFAOYSA-N
MW338.38 g/mol
LogP3.09
Rot. Bonds2

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

2-[1-(2-fluorobenzoyl)piperidin-4-yl]-3H-isoindol-1-one (PubChem CID 134788337) has the molecular formula C20H19FN2O2 and a molecular weight of 338.38 g/mol. Its IUPAC name is 2-[1-(2-fluorobenzoyl)piperidin-4-yl]-3H-isoindol-1-one.

Molecular Properties

Compound Name2-[1-(2-fluorobenzoyl)piperidin-4-yl]-3H-isoindol-1-one
PubChem CID134788337
Molecular FormulaC20H19FN2O2
Molecular Weight338.38 g/mol
Exact Mass338.14
IUPAC Name2-[1-(2-fluorobenzoyl)piperidin-4-yl]-3H-isoindol-1-one
SMILESO=C(c1ccccc1F)N1CCC(N2Cc3ccccc3C2=O)CC1
InChIInChI=1S/C20H19FN2O2/c21-18-8-4-3-7-17(18)19(24)22-11-9-15(10-12-22)23-13-14-5-1-2-6-16(14)20(23)25/h1-8,15H,9-13H2
InChIKeyHLIZIIUZEWTRDY-UHFFFAOYSA-N
XLogP3.09
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.38
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-[1-(2-fluorobenzoyl)piperidin-4-yl]-3H-isoindol-1-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

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
N-{[(2S)-1-[(3R)-3-amino-4-(2-fluorophenyl)butanoyl]pyrrolidin-2-yl]methyl}benzamide
CID 5494422
2-Benzylisoindolin-1-one
CID 1485883
2-[2-(4-fluorophenyl)-2-oxoethyl]-1H-isoindole-1,3(2H)-dione
CID 2815202

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-fluorobenzoyl)piperidin-4-yl]-3H-isoindol-1-one?
The IUPAC name of 2-[1-(2-fluorobenzoyl)piperidin-4-yl]-3H-isoindol-1-one (CID 134788337) is 2-[1-(2-fluorobenzoyl)piperidin-4-yl]-3H-isoindol-1-one.
What is the SMILES notation for 2-[1-(2-fluorobenzoyl)piperidin-4-yl]-3H-isoindol-1-one?
The canonical SMILES for 2-[1-(2-fluorobenzoyl)piperidin-4-yl]-3H-isoindol-1-one is O=C(c1ccccc1F)N1CCC(N2Cc3ccccc3C2=O)CC1.
What is the InChIKey of 2-[1-(2-fluorobenzoyl)piperidin-4-yl]-3H-isoindol-1-one?
The InChIKey is HLIZIIUZEWTRDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19FN2O2/c21-18-8-4-3-7-17(18)19(24)22-11-9-15(10-12-22)23-13-14-5-1-2-6-16(14)20(23)25/h1-8,15H,9-13H2.
What are the key properties of 2-[1-(2-fluorobenzoyl)piperidin-4-yl]-3H-isoindol-1-one?
2-[1-(2-fluorobenzoyl)piperidin-4-yl]-3H-isoindol-1-one has a molecular weight of 338.38 g/mol, XLogP of 3.09, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-fluorobenzoyl)piperidin-4-yl]-3H-isoindol-1-one is sourced from PubChem (CID 134788337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).