3-(4-fluorophenyl)-2-methyl-1-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one

C19H22FN3O — CID 48846750

IUPAC3-(4-fluorophenyl)-2-methyl-1-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one
SMILESCC(Cc1ccc(F)cc1)C(=O)N1CCN(c2ccccn2)CC1
InChIInChI=1S/C19H22FN3O/c1-15(14-16-5-7-17(20)8-6-16)19(24)23-12-10-22(11-13-23)18-4-2-3-9-21-18/h2-9,15H,10-14H2,1H3
InChIKeyQZOIAXNVRVSTDB-UHFFFAOYSA-N
MW327.40 g/mol
LogP2.75
Rot. Bonds4

About 3-(4-fluorophenyl)-2-methyl-1-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one

3-(4-fluorophenyl)-2-methyl-1-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one (PubChem CID 48846750) has the molecular formula C19H22FN3O and a molecular weight of 327.40 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-2-methyl-1-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one.

Molecular Properties

Compound Name3-(4-fluorophenyl)-2-methyl-1-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one
PubChem CID48846750
Molecular FormulaC19H22FN3O
Molecular Weight327.40 g/mol
Exact Mass327.17
IUPAC Name3-(4-fluorophenyl)-2-methyl-1-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one
SMILESCC(Cc1ccc(F)cc1)C(=O)N1CCN(c2ccccn2)CC1
InChIInChI=1S/C19H22FN3O/c1-15(14-16-5-7-17(20)8-6-16)19(24)23-12-10-22(11-13-23)18-4-2-3-9-21-18/h2-9,15H,10-14H2,1H3
InChIKeyQZOIAXNVRVSTDB-UHFFFAOYSA-N
XLogP2.75
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.40
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-(4-fluorophenyl)-2-methyl-1-[4-(2-phenoxyacetyl)piperazin-1-yl]propan-1-one
CID 110352181
(2S)-2-amino-4-methyl-1-(4-pyridin-2-ylpiperazin-1-yl)pentan-1-one
CID 22691110
N-(4-fluorophenyl)-2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide
CID 108512673
3-(4-fluorophenyl)-1-[4-(2-methoxybenzoyl)piperazin-1-yl]-2-methylpropan-1-one
CID 48855688
1-[4-(2-methylpropyl)phenyl]-4-(4-pyridin-2-ylpiperazin-1-yl)butane-1,4-dione
CID 52587966
1-[4-(4-fluorobenzoyl)-1,4-diazepan-1-yl]-3-(4-fluorophenyl)-2-methylpropan-1-one
CID 167757594
2-butyl-1-(4-pyridin-2-ylpiperazin-1-yl)butane-1,3-dione
CID 10266982
[5-(4-fluorophenyl)furan-2-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 51193185
2-chloro-2-phenyl-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone
CID 3509836
2-(2-methylphenoxy)-1-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one
CID 2976964
(2S)-2-(2-methylphenoxy)-1-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one
CID 1254913
2-fluoro-N-[(2S)-1-oxo-1-(4-pyridin-2-ylpiperazin-1-yl)propan-2-yl]benzamide
CID 95100164

Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-2-methyl-1-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one?
The IUPAC name of 3-(4-fluorophenyl)-2-methyl-1-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one (CID 48846750) is 3-(4-fluorophenyl)-2-methyl-1-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one.
What is the SMILES notation for 3-(4-fluorophenyl)-2-methyl-1-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one?
The canonical SMILES for 3-(4-fluorophenyl)-2-methyl-1-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one is CC(Cc1ccc(F)cc1)C(=O)N1CCN(c2ccccn2)CC1.
What is the InChIKey of 3-(4-fluorophenyl)-2-methyl-1-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one?
The InChIKey is QZOIAXNVRVSTDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22FN3O/c1-15(14-16-5-7-17(20)8-6-16)19(24)23-12-10-22(11-13-23)18-4-2-3-9-21-18/h2-9,15H,10-14H2,1H3.
What are the key properties of 3-(4-fluorophenyl)-2-methyl-1-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one?
3-(4-fluorophenyl)-2-methyl-1-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one has a molecular weight of 327.40 g/mol, XLogP of 2.75, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-2-methyl-1-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one is sourced from PubChem (CID 48846750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).