2-(4-fluorophenyl)-1-(4-methylpiperazin-1-yl)-3-pyridin-3-ylpropan-1-one

C19H22FN3O — CID 110296415

IUPAC2-(4-fluorophenyl)-1-(4-methylpiperazin-1-yl)-3-pyridin-3-ylpropan-1-one
SMILESCN1CCN(C(=O)C(Cc2cccnc2)c2ccc(F)cc2)CC1
InChIInChI=1S/C19H22FN3O/c1-22-9-11-23(12-10-22)19(24)18(13-15-3-2-8-21-14-15)16-4-6-17(20)7-5-16/h2-8,14,18H,9-13H2,1H3
InChIKeyJHESILKOCDYAPO-UHFFFAOYSA-N
MW327.40 g/mol
LogP2.32
Rot. Bonds4

About 2-(4-fluorophenyl)-1-(4-methylpiperazin-1-yl)-3-pyridin-3-ylpropan-1-one

2-(4-fluorophenyl)-1-(4-methylpiperazin-1-yl)-3-pyridin-3-ylpropan-1-one (PubChem CID 110296415) has the molecular formula C19H22FN3O and a molecular weight of 327.40 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-1-(4-methylpiperazin-1-yl)-3-pyridin-3-ylpropan-1-one.

Molecular Properties

Compound Name2-(4-fluorophenyl)-1-(4-methylpiperazin-1-yl)-3-pyridin-3-ylpropan-1-one
PubChem CID110296415
Molecular FormulaC19H22FN3O
Molecular Weight327.40 g/mol
Exact Mass327.17
IUPAC Name2-(4-fluorophenyl)-1-(4-methylpiperazin-1-yl)-3-pyridin-3-ylpropan-1-one
SMILESCN1CCN(C(=O)C(Cc2cccnc2)c2ccc(F)cc2)CC1
InChIInChI=1S/C19H22FN3O/c1-22-9-11-23(12-10-22)19(24)18(13-15-3-2-8-21-14-15)16-4-6-17(20)7-5-16/h2-8,14,18H,9-13H2,1H3
InChIKeyJHESILKOCDYAPO-UHFFFAOYSA-N
XLogP2.32
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 ≤ 52.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-fluorophenyl)-1-morpholin-4-yl-3-pyridin-3-ylpropan-1-one
CID 110296410
2-(4-fluorophenyl)-1-(2-methylmorpholin-4-yl)-3-pyridin-3-ylpropan-1-one
CID 110310019
3-(4-methylpiperazin-1-yl)-3-oxo-2-(pyridin-3-ylmethyl)propanenitrile
CID 82121004
1-(4-methylpiperazin-1-yl)-2,3-diphenylpropan-1-one
CID 71449759
2-(4-fluorophenyl)-N-[(2S)-1-hydroxypropan-2-yl]-3-pyridin-3-ylpropanamide
CID 110306923
N-(2,6-dichlorophenyl)-2-(4-fluorophenyl)-3-pyridin-3-ylpropanamide
CID 110296516
1-(4-methylpiperazin-1-yl)-2-pyridin-3-ylpropan-1-one
CID 18715054
N-[(4-fluorophenyl)methyl]-2-phenyl-3-pyridin-3-ylpropanamide
CID 110409718
N-benzyl-N-ethyl-2-(4-fluorophenyl)-3-pyridin-3-ylpropanamide
CID 110296433
2-(4-fluorophenyl)-1-(4-methylpiperazin-1-yl)-3-(3-phenyl-1,2-oxazol-5-yl)propan-1-one
CID 134113416
2-(4-fluorophenyl)-N-(5-methyl-1,2-oxazol-3-yl)-3-pyridin-3-ylpropanamide
CID 110296524
1-(1,4-diazepan-1-yl)-2-methyl-3-pyridin-3-ylpropan-1-one
CID 82086571

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-1-(4-methylpiperazin-1-yl)-3-pyridin-3-ylpropan-1-one?
The IUPAC name of 2-(4-fluorophenyl)-1-(4-methylpiperazin-1-yl)-3-pyridin-3-ylpropan-1-one (CID 110296415) is 2-(4-fluorophenyl)-1-(4-methylpiperazin-1-yl)-3-pyridin-3-ylpropan-1-one.
What is the SMILES notation for 2-(4-fluorophenyl)-1-(4-methylpiperazin-1-yl)-3-pyridin-3-ylpropan-1-one?
The canonical SMILES for 2-(4-fluorophenyl)-1-(4-methylpiperazin-1-yl)-3-pyridin-3-ylpropan-1-one is CN1CCN(C(=O)C(Cc2cccnc2)c2ccc(F)cc2)CC1.
What is the InChIKey of 2-(4-fluorophenyl)-1-(4-methylpiperazin-1-yl)-3-pyridin-3-ylpropan-1-one?
The InChIKey is JHESILKOCDYAPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22FN3O/c1-22-9-11-23(12-10-22)19(24)18(13-15-3-2-8-21-14-15)16-4-6-17(20)7-5-16/h2-8,14,18H,9-13H2,1H3.
What are the key properties of 2-(4-fluorophenyl)-1-(4-methylpiperazin-1-yl)-3-pyridin-3-ylpropan-1-one?
2-(4-fluorophenyl)-1-(4-methylpiperazin-1-yl)-3-pyridin-3-ylpropan-1-one has a molecular weight of 327.40 g/mol, XLogP of 2.32, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-1-(4-methylpiperazin-1-yl)-3-pyridin-3-ylpropan-1-one is sourced from PubChem (CID 110296415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).