5-[[1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]-2,3-dihydroindol-6-yl]-hydroxymethyl]-1H-pyridin-2-one

C27H30FN3O2 — CID 22038276

IUPAC5-[[1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]-2,3-dihydroindol-6-yl]-hydroxymethyl]-1H-pyridin-2-one
SMILESO=c1ccc(C(O)c2ccc3c(c2)N(C2CCN(CCc4ccc(F)cc4)CC2)CC3)c[nH]1
InChIInChI=1S/C27H30FN3O2/c28-23-6-1-19(2-7-23)9-13-30-14-11-24(12-15-30)31-16-10-20-3-4-21(17-25(20)31)27(33)22-5-8-26(32)29-18-22/h1-8,17-18,24,27,33H,9-16H2,(H,29,32)
InChIKeyFYJIVIPJXIMFEU-UHFFFAOYSA-N
MW447.55 g/mol
LogP3.67
Rot. Bonds6

About 5-[[1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]-2,3-dihydroindol-6-yl]-hydroxymethyl]-1H-pyridin-2-one

5-[[1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]-2,3-dihydroindol-6-yl]-hydroxymethyl]-1H-pyridin-2-one (PubChem CID 22038276) has the molecular formula C27H30FN3O2 and a molecular weight of 447.55 g/mol. Its IUPAC name is 5-[[1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]-2,3-dihydroindol-6-yl]-hydroxymethyl]-1H-pyridin-2-one.

Molecular Properties

Compound Name5-[[1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]-2,3-dihydroindol-6-yl]-hydroxymethyl]-1H-pyridin-2-one
PubChem CID22038276
Molecular FormulaC27H30FN3O2
Molecular Weight447.55 g/mol
Exact Mass447.23
IUPAC Name5-[[1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]-2,3-dihydroindol-6-yl]-hydroxymethyl]-1H-pyridin-2-one
SMILESO=c1ccc(C(O)c2ccc3c(c2)N(C2CCN(CCc4ccc(F)cc4)CC2)CC3)c[nH]1
InChIInChI=1S/C27H30FN3O2/c28-23-6-1-19(2-7-23)9-13-30-14-11-24(12-15-30)31-16-10-20-3-4-21(17-25(20)31)27(33)22-5-8-26(32)29-18-22/h1-8,17-18,24,27,33H,9-16H2,(H,29,32)
InChIKeyFYJIVIPJXIMFEU-UHFFFAOYSA-N
XLogP3.67
TPSA59.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.55
LogP ≤ 53.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(6-fluoro-2,3-dihydroindol-1-yl)-N-[3-(hydroxymethyl)phenyl]piperidine-1-carboxamide
CID 89626935
1-[1-(4-Fluorophenethyl)piperidin-4-yl]-6-hydroxymethylindoline
CID 22037891
1-[1-(4-Fluorophenethyl)piperdin-4-yl]-6-(1-hydroxyethyl)indoline
CID 22037899
4-[4-(2,3-Dihydroindol-1-yl)piperidin-1-yl]-1-(4-fluorophenyl)butan-1-ol
CID 22037902
[1-[1-[2-(2-Fluorophenyl)ethyl]piperidin-4-yl]-2,3-dihydroindol-6-yl]methanol
CID 22038297
1-[1-(4-Fluorophenethyl)-piperdin-4-yl]-6-(1-hydroxypropyl)indoline
CID 22038361
5-Fluoro-3-[[4-[(8-hydroxy-5,6,7,8-tetrahydronaphthalen-2-yl)methylamino]piperidin-1-yl]methyl]-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12),9-tetraen-11-one
CID 59198356
5-[4-[1-[2-fluoro-3-(hydroxymethyl)phenyl]piperidin-4-yl]oxypiperidin-1-yl]-1H-pyridin-2-one
CID 68309035
5-[4-[[1-[2-fluoro-3-(hydroxymethyl)phenyl]piperidin-4-yl]oxymethyl]piperidin-1-yl]-1H-pyridin-2-one
CID 68309036
5-{4-[2-Fluoro-3-(hydroxymethyl)phenyl]piperazin-1-yl}pyridin-2(1H)-one
CID 68309041
5-Fluoro-10-[[4-[(8-hydroxy-5,6,7,8-tetrahydronaphthalen-2-yl)methylamino]piperidin-1-yl]methyl]-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12),9-tetraen-11-one
CID 69040580
N-[2-(4-fluoro-3-morpholin-4-ylphenyl)-2-hydroxyethyl]-3-(2-fluorophenyl)prop-2-enamide
CID 69527663

Frequently Asked Questions

What is the IUPAC name of 5-[[1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]-2,3-dihydroindol-6-yl]-hydroxymethyl]-1H-pyridin-2-one?
The IUPAC name of 5-[[1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]-2,3-dihydroindol-6-yl]-hydroxymethyl]-1H-pyridin-2-one (CID 22038276) is 5-[[1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]-2,3-dihydroindol-6-yl]-hydroxymethyl]-1H-pyridin-2-one.
What is the SMILES notation for 5-[[1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]-2,3-dihydroindol-6-yl]-hydroxymethyl]-1H-pyridin-2-one?
The canonical SMILES for 5-[[1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]-2,3-dihydroindol-6-yl]-hydroxymethyl]-1H-pyridin-2-one is O=c1ccc(C(O)c2ccc3c(c2)N(C2CCN(CCc4ccc(F)cc4)CC2)CC3)c[nH]1.
What is the InChIKey of 5-[[1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]-2,3-dihydroindol-6-yl]-hydroxymethyl]-1H-pyridin-2-one?
The InChIKey is FYJIVIPJXIMFEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30FN3O2/c28-23-6-1-19(2-7-23)9-13-30-14-11-24(12-15-30)31-16-10-20-3-4-21(17-25(20)31)27(33)22-5-8-26(32)29-18-22/h1-8,17-18,24,27,33H,9-16H2,(H,29,32).
What are the key properties of 5-[[1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]-2,3-dihydroindol-6-yl]-hydroxymethyl]-1H-pyridin-2-one?
5-[[1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]-2,3-dihydroindol-6-yl]-hydroxymethyl]-1H-pyridin-2-one has a molecular weight of 447.55 g/mol, XLogP of 3.67, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]-2,3-dihydroindol-6-yl]-hydroxymethyl]-1H-pyridin-2-one is sourced from PubChem (CID 22038276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).