1-[4-[5-(2-fluorophenyl)-2-pyridinyl]piperazin-1-yl]-2-phenylmethoxyethanone

C24H24FN3O2 — CID 141044305

IUPAC1-[4-[5-(2-fluorophenyl)-2-pyridinyl]piperazin-1-yl]-2-phenylmethoxyethanone
SMILESO=C(COCc1ccccc1)N1CCN(c2ccc(-c3ccccc3F)cn2)CC1
InChIInChI=1S/C24H24FN3O2/c25-22-9-5-4-8-21(22)20-10-11-23(26-16-20)27-12-14-28(15-13-27)24(29)18-30-17-19-6-2-1-3-7-19/h1-11,16H,12-15,17-18H2
InChIKeyAUJHHGOUGDESBD-UHFFFAOYSA-N
MW405.47 g/mol
LogP3.75
Rot. Bonds6

About 1-[4-[5-(2-fluorophenyl)-2-pyridinyl]piperazin-1-yl]-2-phenylmethoxyethanone

1-[4-[5-(2-fluorophenyl)-2-pyridinyl]piperazin-1-yl]-2-phenylmethoxyethanone (PubChem CID 141044305) has the molecular formula C24H24FN3O2 and a molecular weight of 405.47 g/mol. Its IUPAC name is 1-[4-[5-(2-fluorophenyl)-2-pyridinyl]piperazin-1-yl]-2-phenylmethoxyethanone.

Molecular Properties

Compound Name1-[4-[5-(2-fluorophenyl)-2-pyridinyl]piperazin-1-yl]-2-phenylmethoxyethanone
PubChem CID141044305
Molecular FormulaC24H24FN3O2
Molecular Weight405.47 g/mol
Exact Mass405.19
IUPAC Name1-[4-[5-(2-fluorophenyl)-2-pyridinyl]piperazin-1-yl]-2-phenylmethoxyethanone
SMILESO=C(COCc1ccccc1)N1CCN(c2ccc(-c3ccccc3F)cn2)CC1
InChIInChI=1S/C24H24FN3O2/c25-22-9-5-4-8-21(22)20-10-11-23(26-16-20)27-12-14-28(15-13-27)24(29)18-30-17-19-6-2-1-3-7-19/h1-11,16H,12-15,17-18H2
InChIKeyAUJHHGOUGDESBD-UHFFFAOYSA-N
XLogP3.75
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.47
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-[4-[5-(2-fluorophenyl)-2-pyridinyl]piperazin-1-yl]-2-phenylmethoxyethanone 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

1-[2-(2-Methylphenoxy)propanoyl]-4-(2-pyridinyl)piperazine
CID 2976964
1-[2-[bis(4-Fluorophenyl)methoxy]ethyl]-4-(pyridinyl)-piperazine
CID 4913097
2-[2-(4-Fluorophenyl)morpholin-4-yl]-3-methyl-6-pyridin-4-ylpyrimidin-4-one
CID 10133485
2-[(2S)-2-(4-fluorophenyl)morpholin-4-yl]-3-methyl-6-pyridin-4-ylpyrimidin-4-one
CID 11176034
4-{4-[4-(3-Phenyl-pyridin-2-yl)-piperazin-1-yl]-butyl}-morpholine-3,5-dione
CID 14371235
(S)-N-phenyl-5-((2-phenylmorpholino)methyl)pyridin-2-amine
CID 24954444
(S)-N-(4-fluorophenyl)-5-((2-phenylmorpholino)methyl)pyridin-2-amine
CID 24955525
2-[(2S)-2-(4-fluorophenyl)morpholin-4-yl]-6-(3-fluoro-4-pyridinyl)-3-methylpyrimidin-4-one
CID 57877765
2-[(2R)-2-(4-fluorophenyl)morpholin-4-yl]-3-methyl-6-pyridin-4-ylpyrimidin-4-one
CID 59793923
benzyl N-[2-oxo-1-[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]pyrimidin-4-yl]carbamate
CID 44144243
2-(Benzyloxy)-1-(4-(4-chloropyridin-2-yl)piperazin-1-yl)ethanone
CID 52943881
1-[6-[(3R,4R)-3-amino-4-(2,4,5-trifluorophenyl)piperidin-1-yl]-3-pyridinyl]-4-phenylmethoxypyridin-2-one
CID 57404374

Frequently Asked Questions

What is the IUPAC name of 1-[4-[5-(2-fluorophenyl)-2-pyridinyl]piperazin-1-yl]-2-phenylmethoxyethanone?
The IUPAC name of 1-[4-[5-(2-fluorophenyl)-2-pyridinyl]piperazin-1-yl]-2-phenylmethoxyethanone (CID 141044305) is 1-[4-[5-(2-fluorophenyl)-2-pyridinyl]piperazin-1-yl]-2-phenylmethoxyethanone.
What is the SMILES notation for 1-[4-[5-(2-fluorophenyl)-2-pyridinyl]piperazin-1-yl]-2-phenylmethoxyethanone?
The canonical SMILES for 1-[4-[5-(2-fluorophenyl)-2-pyridinyl]piperazin-1-yl]-2-phenylmethoxyethanone is O=C(COCc1ccccc1)N1CCN(c2ccc(-c3ccccc3F)cn2)CC1.
What is the InChIKey of 1-[4-[5-(2-fluorophenyl)-2-pyridinyl]piperazin-1-yl]-2-phenylmethoxyethanone?
The InChIKey is AUJHHGOUGDESBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24FN3O2/c25-22-9-5-4-8-21(22)20-10-11-23(26-16-20)27-12-14-28(15-13-27)24(29)18-30-17-19-6-2-1-3-7-19/h1-11,16H,12-15,17-18H2.
What are the key properties of 1-[4-[5-(2-fluorophenyl)-2-pyridinyl]piperazin-1-yl]-2-phenylmethoxyethanone?
1-[4-[5-(2-fluorophenyl)-2-pyridinyl]piperazin-1-yl]-2-phenylmethoxyethanone has a molecular weight of 405.47 g/mol, XLogP of 3.75, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[5-(2-fluorophenyl)-2-pyridinyl]piperazin-1-yl]-2-phenylmethoxyethanone is sourced from PubChem (CID 141044305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).