1-(4-fluorophenyl)-2-[4-[(1-methyl-1,3-dihydroisoindol-2-yl)methyl]piperidin-1-yl]ethanone

C23H27FN2O — CID 147099059

IUPAC1-(4-fluorophenyl)-2-[4-[(1-methyl-1,3-dihydroisoindol-2-yl)methyl]piperidin-1-yl]ethanone
SMILESCC1c2ccccc2CN1CC1CCN(CC(=O)c2ccc(F)cc2)CC1
InChIInChI=1S/C23H27FN2O/c1-17-22-5-3-2-4-20(22)15-26(17)14-18-10-12-25(13-11-18)16-23(27)19-6-8-21(24)9-7-19/h2-9,17-18H,10-16H2,1H3
InChIKeyXEVCUGZBAILMMK-UHFFFAOYSA-N
MW366.48 g/mol
LogP4.30
Rot. Bonds5

About 1-(4-fluorophenyl)-2-[4-[(1-methyl-1,3-dihydroisoindol-2-yl)methyl]piperidin-1-yl]ethanone

1-(4-fluorophenyl)-2-[4-[(1-methyl-1,3-dihydroisoindol-2-yl)methyl]piperidin-1-yl]ethanone (PubChem CID 147099059) has the molecular formula C23H27FN2O and a molecular weight of 366.48 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-2-[4-[(1-methyl-1,3-dihydroisoindol-2-yl)methyl]piperidin-1-yl]ethanone.

Molecular Properties

Compound Name1-(4-fluorophenyl)-2-[4-[(1-methyl-1,3-dihydroisoindol-2-yl)methyl]piperidin-1-yl]ethanone
PubChem CID147099059
Molecular FormulaC23H27FN2O
Molecular Weight366.48 g/mol
Exact Mass366.21
IUPAC Name1-(4-fluorophenyl)-2-[4-[(1-methyl-1,3-dihydroisoindol-2-yl)methyl]piperidin-1-yl]ethanone
SMILESCC1c2ccccc2CN1CC1CCN(CC(=O)c2ccc(F)cc2)CC1
InChIInChI=1S/C23H27FN2O/c1-17-22-5-3-2-4-20(22)15-26(17)14-18-10-12-25(13-11-18)16-23(27)19-6-8-21(24)9-7-19/h2-9,17-18H,10-16H2,1H3
InChIKeyXEVCUGZBAILMMK-UHFFFAOYSA-N
XLogP4.30
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.48
LogP ≤ 54.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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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
alpha-Phthalimidopropiophenone
CID 519663
2-[2-(4-fluorophenyl)-2-oxoethyl]-1H-isoindole-1,3(2H)-dione
CID 2815202
Alpha-D2PV
CID 33957
2-[1-(3,4-dihydroisoquinolin-2(1H)-yl)-1-oxopropan-2-yl]-1H-isoindole-1,3(2H)-dione
CID 3134071
4-(3,4-dihydroisoquinolin-2(1H)-yl)-1-(4-fluorophenyl)butan-1-one
CID 27620
2-(1-Benzyl-piperidin-4-ylmethyl)-indan-1-one; hydrochloride
CID 9797115
2-(2-(1-Benzylpiperidin-4-yl)ethyl)isoindolin-1-one
CID 9974154
(1-Benzyl-piperidin-4-yl)-(4-fluoro-phenyl)-methanone
CID 11779386
4-(1,3-Dihydro-isoindol-2-yl)-1-(4-fluoro-phenyl)-butan-1-one
CID 6603184
2-(1-Benzyl-piperidin-3-yl)-1-(4-fluoro-phenyl)-ethanone
CID 9972752
2-(2-(1-Benzylpiperidin-4-yl)ethyl)isoindoline-1,3-dione
CID 9997900

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-2-[4-[(1-methyl-1,3-dihydroisoindol-2-yl)methyl]piperidin-1-yl]ethanone?
The IUPAC name of 1-(4-fluorophenyl)-2-[4-[(1-methyl-1,3-dihydroisoindol-2-yl)methyl]piperidin-1-yl]ethanone (CID 147099059) is 1-(4-fluorophenyl)-2-[4-[(1-methyl-1,3-dihydroisoindol-2-yl)methyl]piperidin-1-yl]ethanone.
What is the SMILES notation for 1-(4-fluorophenyl)-2-[4-[(1-methyl-1,3-dihydroisoindol-2-yl)methyl]piperidin-1-yl]ethanone?
The canonical SMILES for 1-(4-fluorophenyl)-2-[4-[(1-methyl-1,3-dihydroisoindol-2-yl)methyl]piperidin-1-yl]ethanone is CC1c2ccccc2CN1CC1CCN(CC(=O)c2ccc(F)cc2)CC1.
What is the InChIKey of 1-(4-fluorophenyl)-2-[4-[(1-methyl-1,3-dihydroisoindol-2-yl)methyl]piperidin-1-yl]ethanone?
The InChIKey is XEVCUGZBAILMMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27FN2O/c1-17-22-5-3-2-4-20(22)15-26(17)14-18-10-12-25(13-11-18)16-23(27)19-6-8-21(24)9-7-19/h2-9,17-18H,10-16H2,1H3.
What are the key properties of 1-(4-fluorophenyl)-2-[4-[(1-methyl-1,3-dihydroisoindol-2-yl)methyl]piperidin-1-yl]ethanone?
1-(4-fluorophenyl)-2-[4-[(1-methyl-1,3-dihydroisoindol-2-yl)methyl]piperidin-1-yl]ethanone has a molecular weight of 366.48 g/mol, XLogP of 4.30, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-2-[4-[(1-methyl-1,3-dihydroisoindol-2-yl)methyl]piperidin-1-yl]ethanone is sourced from PubChem (CID 147099059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).