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

C19H21FN2O2 — CID 110310019

IUPAC2-(4-fluorophenyl)-1-(2-methylmorpholin-4-yl)-3-pyridin-3-ylpropan-1-one
SMILESCC1CN(C(=O)C(Cc2cccnc2)c2ccc(F)cc2)CCO1
InChIInChI=1S/C19H21FN2O2/c1-14-13-22(9-10-24-14)19(23)18(11-15-3-2-8-21-12-15)16-4-6-17(20)7-5-16/h2-8,12,14,18H,9-11,13H2,1H3
InChIKeyOTRKTVQAYPJSSX-UHFFFAOYSA-N
MW328.39 g/mol
LogP2.79
Rot. Bonds4

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

2-(4-fluorophenyl)-1-(2-methylmorpholin-4-yl)-3-pyridin-3-ylpropan-1-one (PubChem CID 110310019) has the molecular formula C19H21FN2O2 and a molecular weight of 328.39 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-1-(2-methylmorpholin-4-yl)-3-pyridin-3-ylpropan-1-one.

Molecular Properties

Compound Name2-(4-fluorophenyl)-1-(2-methylmorpholin-4-yl)-3-pyridin-3-ylpropan-1-one
PubChem CID110310019
Molecular FormulaC19H21FN2O2
Molecular Weight328.39 g/mol
Exact Mass328.16
IUPAC Name2-(4-fluorophenyl)-1-(2-methylmorpholin-4-yl)-3-pyridin-3-ylpropan-1-one
SMILESCC1CN(C(=O)C(Cc2cccnc2)c2ccc(F)cc2)CCO1
InChIInChI=1S/C19H21FN2O2/c1-14-13-22(9-10-24-14)19(23)18(11-15-3-2-8-21-12-15)16-4-6-17(20)7-5-16/h2-8,12,14,18H,9-11,13H2,1H3
InChIKeyOTRKTVQAYPJSSX-UHFFFAOYSA-N
XLogP2.79
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.39
LogP ≤ 52.79
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-(4-methylpiperazin-1-yl)-3-pyridin-3-ylpropan-1-one
CID 110296415
1-[2-(2-fluorophenyl)morpholin-4-yl]-2-phenyl-3-pyridin-3-ylpropan-1-one
CID 110609353
2-(4-fluorophenyl)-3-methyl-1-(2-methylmorpholin-4-yl)butan-1-one
CID 110313844
3-amino-1-(2-methylmorpholin-4-yl)-2-phenylpropan-1-one
CID 62877976
2-(4-chlorophenyl)-1-[3-(hydroxymethyl)piperidin-1-yl]-3-pyridin-3-ylpropan-1-one
CID 110311432
2-(4-fluorophenyl)-N-methyl-N-[2-(oxan-2-yl)ethyl]-3-pyridin-3-ylpropanamide
CID 110619177
2-(4-fluorophenyl)-N-[(2S)-1-hydroxypropan-2-yl]-3-pyridin-3-ylpropanamide
CID 110306923
1-(2-methylmorpholin-4-yl)-4-pyridin-3-ylbutane-1,4-dione
CID 110631390
1-[4-(morpholin-4-ylmethyl)piperidin-1-yl]-2-phenyl-3-pyridin-3-ylpropan-1-one
CID 110624572
N-(2,6-dichlorophenyl)-2-(4-fluorophenyl)-3-pyridin-3-ylpropanamide
CID 110296516
2-(4-fluorophenyl)-N-(5-methyl-1,2-oxazol-3-yl)-3-pyridin-3-ylpropanamide
CID 110296524

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-1-(2-methylmorpholin-4-yl)-3-pyridin-3-ylpropan-1-one?
The IUPAC name of 2-(4-fluorophenyl)-1-(2-methylmorpholin-4-yl)-3-pyridin-3-ylpropan-1-one (CID 110310019) is 2-(4-fluorophenyl)-1-(2-methylmorpholin-4-yl)-3-pyridin-3-ylpropan-1-one.
What is the SMILES notation for 2-(4-fluorophenyl)-1-(2-methylmorpholin-4-yl)-3-pyridin-3-ylpropan-1-one?
The canonical SMILES for 2-(4-fluorophenyl)-1-(2-methylmorpholin-4-yl)-3-pyridin-3-ylpropan-1-one is CC1CN(C(=O)C(Cc2cccnc2)c2ccc(F)cc2)CCO1.
What is the InChIKey of 2-(4-fluorophenyl)-1-(2-methylmorpholin-4-yl)-3-pyridin-3-ylpropan-1-one?
The InChIKey is OTRKTVQAYPJSSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21FN2O2/c1-14-13-22(9-10-24-14)19(23)18(11-15-3-2-8-21-12-15)16-4-6-17(20)7-5-16/h2-8,12,14,18H,9-11,13H2,1H3.
What are the key properties of 2-(4-fluorophenyl)-1-(2-methylmorpholin-4-yl)-3-pyridin-3-ylpropan-1-one?
2-(4-fluorophenyl)-1-(2-methylmorpholin-4-yl)-3-pyridin-3-ylpropan-1-one has a molecular weight of 328.39 g/mol, XLogP of 2.79, 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-(2-methylmorpholin-4-yl)-3-pyridin-3-ylpropan-1-one is sourced from PubChem (CID 110310019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).