2-[3-(2-fluorophenoxy)piperidin-1-yl]-1-[3-(2-methyl-4-pyridinyl)-1H-isoindol-5-yl]ethanone

C27H26FN3O2 — CID 147911629

IUPAC2-[3-(2-fluorophenoxy)piperidin-1-yl]-1-[3-(2-methyl-4-pyridinyl)-1H-isoindol-5-yl]ethanone
SMILESCc1cc(C2=NCc3ccc(C(=O)CN4CCCC(Oc5ccccc5F)C4)cc32)ccn1
InChIInChI=1S/C27H26FN3O2/c1-18-13-20(10-11-29-18)27-23-14-19(8-9-21(23)15-30-27)25(32)17-31-12-4-5-22(16-31)33-26-7-3-2-6-24(26)28/h2-3,6-11,13-14,22H,4-5,12,15-17H2,1H3
InChIKeyIGGCIZIEMZIKQC-UHFFFAOYSA-N
MW443.52 g/mol
LogP4.61
Rot. Bonds6

About 2-[3-(2-fluorophenoxy)piperidin-1-yl]-1-[3-(2-methyl-4-pyridinyl)-1H-isoindol-5-yl]ethanone

2-[3-(2-fluorophenoxy)piperidin-1-yl]-1-[3-(2-methyl-4-pyridinyl)-1H-isoindol-5-yl]ethanone (PubChem CID 147911629) has the molecular formula C27H26FN3O2 and a molecular weight of 443.52 g/mol. Its IUPAC name is 2-[3-(2-fluorophenoxy)piperidin-1-yl]-1-[3-(2-methyl-4-pyridinyl)-1H-isoindol-5-yl]ethanone.

Molecular Properties

Compound Name2-[3-(2-fluorophenoxy)piperidin-1-yl]-1-[3-(2-methyl-4-pyridinyl)-1H-isoindol-5-yl]ethanone
PubChem CID147911629
Molecular FormulaC27H26FN3O2
Molecular Weight443.52 g/mol
Exact Mass443.20
IUPAC Name2-[3-(2-fluorophenoxy)piperidin-1-yl]-1-[3-(2-methyl-4-pyridinyl)-1H-isoindol-5-yl]ethanone
SMILESCc1cc(C2=NCc3ccc(C(=O)CN4CCCC(Oc5ccccc5F)C4)cc32)ccn1
InChIInChI=1S/C27H26FN3O2/c1-18-13-20(10-11-29-18)27-23-14-19(8-9-21(23)15-30-27)25(32)17-31-12-4-5-22(16-31)33-26-7-3-2-6-24(26)28/h2-3,6-11,13-14,22H,4-5,12,15-17H2,1H3
InChIKeyIGGCIZIEMZIKQC-UHFFFAOYSA-N
XLogP4.61
TPSA54.79 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.52
LogP ≤ 54.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-[3-(2-fluorophenoxy)piperidin-1-yl]-1-[3-(2-methyl-4-pyridinyl)-1H-isoindol-5-yl]ethanone 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-[3-(4-fluorophenoxy)-3-(hydroxymethyl)piperidin-1-yl]-1-[3-(2-methyl-4-pyridinyl)-1H-isoindol-5-yl]ethanone
CID 160502091
2-[1-[(2,6-difluorophenyl)methyl]-3-methylpiperidin-3-yl]-1-[3-(2-methyl-4-pyridinyl)-1H-isoindol-5-yl]ethanone
CID 161055734
(5R)-1-[(2-fluoro-6-methoxyphenyl)methyl]-5-[2-[3-(2-methyl-4-pyridinyl)-1H-isoindol-5-yl]-2-oxoethyl]piperidin-2-one
CID 159630089
methyl 1-[(4-fluorophenyl)methyl]-3-[2-[3-(2-methyl-4-pyridinyl)-1H-isoindol-5-yl]-2-oxoethyl]cyclohexane-1-carboxylate
CID 159335705
[2-amino-5-[6-[2-[(3S)-1-[(2,6-difluorophenyl)methyl]piperidin-3-yl]acetyl]-3H-isoindol-1-yl]phenyl] acetate
CID 160976861
6-[(3R)-1-[(2,6-difluorophenyl)methyl]piperidin-3-yl]-3-(2-methyl-4-pyridinyl)-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one
CID 146932189
2-[(3S)-1-(1-benzothiophen-2-ylmethyl)piperidin-3-yl]-1-[3-(2-methyl-4-pyridinyl)-1H-isoindol-5-yl]ethanone;2-[(3S)-1-[(2-chloro-5-fluoro-4-methylphenyl)methyl]piperidin-3-yl]-1-[3-(2-methyl-4-pyridinyl)-1H-isoindol-5-yl]ethanone;2-[(3S)-1-(2,3-dihydro-1H-inden-1-yl)piperidin-3-yl]-1-[3-(2-methyl-4-pyridinyl)-1H-isoindol-5-yl]ethanone;2-[(3S)-1-[(6-methoxy-2-pyridinyl)methyl]piperidin-3-yl]-1-[3-(2-methyl-4-pyridinyl)-1H-isoindol-5-yl]ethanone;1-[3-(2-methyl-4-pyridinyl)-1H-isoindol-5-yl]-2-[(3S)-1-(pyridin-2-ylmethyl)piperidin-3-yl]ethanone
CID 159319375
3-(2-methyl-4-pyridinyl)-6-[(3R)-1-[[2-(trifluoromethyl)phenyl]methyl]piperidin-3-yl]-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one
CID 160990175
6-[(3R)-1-[(3-chloro-4-fluorophenyl)methyl]piperidin-3-yl]-3-(2-methyl-4-pyridinyl)-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one
CID 158647044
1-(4-fluoro-3-methylphenyl)-2-(3-methylpiperidin-1-yl)ethanone
CID 82050236
2-[(3aS)-5-(2-fluorophenoxy)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-1-(4-hydroxyphenyl)ethanone
CID 121247600
2-[(3R)-3-[(2-fluorophenoxy)methyl]piperidin-1-yl]acetic acid
CID 165429453

Frequently Asked Questions

What is the IUPAC name of 2-[3-(2-fluorophenoxy)piperidin-1-yl]-1-[3-(2-methyl-4-pyridinyl)-1H-isoindol-5-yl]ethanone?
The IUPAC name of 2-[3-(2-fluorophenoxy)piperidin-1-yl]-1-[3-(2-methyl-4-pyridinyl)-1H-isoindol-5-yl]ethanone (CID 147911629) is 2-[3-(2-fluorophenoxy)piperidin-1-yl]-1-[3-(2-methyl-4-pyridinyl)-1H-isoindol-5-yl]ethanone.
What is the SMILES notation for 2-[3-(2-fluorophenoxy)piperidin-1-yl]-1-[3-(2-methyl-4-pyridinyl)-1H-isoindol-5-yl]ethanone?
The canonical SMILES for 2-[3-(2-fluorophenoxy)piperidin-1-yl]-1-[3-(2-methyl-4-pyridinyl)-1H-isoindol-5-yl]ethanone is Cc1cc(C2=NCc3ccc(C(=O)CN4CCCC(Oc5ccccc5F)C4)cc32)ccn1.
What is the InChIKey of 2-[3-(2-fluorophenoxy)piperidin-1-yl]-1-[3-(2-methyl-4-pyridinyl)-1H-isoindol-5-yl]ethanone?
The InChIKey is IGGCIZIEMZIKQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26FN3O2/c1-18-13-20(10-11-29-18)27-23-14-19(8-9-21(23)15-30-27)25(32)17-31-12-4-5-22(16-31)33-26-7-3-2-6-24(26)28/h2-3,6-11,13-14,22H,4-5,12,15-17H2,1H3.
What are the key properties of 2-[3-(2-fluorophenoxy)piperidin-1-yl]-1-[3-(2-methyl-4-pyridinyl)-1H-isoindol-5-yl]ethanone?
2-[3-(2-fluorophenoxy)piperidin-1-yl]-1-[3-(2-methyl-4-pyridinyl)-1H-isoindol-5-yl]ethanone has a molecular weight of 443.52 g/mol, XLogP of 4.61, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2-fluorophenoxy)piperidin-1-yl]-1-[3-(2-methyl-4-pyridinyl)-1H-isoindol-5-yl]ethanone is sourced from PubChem (CID 147911629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).