1-(3,3-dimethylmorpholin-4-yl)-2-phenyl-3-pyridin-3-ylpropan-1-one

C20H24N2O2 — CID 110421746

IUPAC1-(3,3-dimethylmorpholin-4-yl)-2-phenyl-3-pyridin-3-ylpropan-1-one
SMILESCC1(C)COCCN1C(=O)C(Cc1cccnc1)c1ccccc1
InChIInChI=1S/C20H24N2O2/c1-20(2)15-24-12-11-22(20)19(23)18(17-8-4-3-5-9-17)13-16-7-6-10-21-14-16/h3-10,14,18H,11-13,15H2,1-2H3
InChIKeyBCFYYWQJCFDTMS-UHFFFAOYSA-N
MW324.42 g/mol
LogP3.05
Rot. Bonds4

About 1-(3,3-dimethylmorpholin-4-yl)-2-phenyl-3-pyridin-3-ylpropan-1-one

1-(3,3-dimethylmorpholin-4-yl)-2-phenyl-3-pyridin-3-ylpropan-1-one (PubChem CID 110421746) has the molecular formula C20H24N2O2 and a molecular weight of 324.42 g/mol. Its IUPAC name is 1-(3,3-dimethylmorpholin-4-yl)-2-phenyl-3-pyridin-3-ylpropan-1-one.

Molecular Properties

Compound Name1-(3,3-dimethylmorpholin-4-yl)-2-phenyl-3-pyridin-3-ylpropan-1-one
PubChem CID110421746
Molecular FormulaC20H24N2O2
Molecular Weight324.42 g/mol
Exact Mass324.18
IUPAC Name1-(3,3-dimethylmorpholin-4-yl)-2-phenyl-3-pyridin-3-ylpropan-1-one
SMILESCC1(C)COCCN1C(=O)C(Cc1cccnc1)c1ccccc1
InChIInChI=1S/C20H24N2O2/c1-20(2)15-24-12-11-22(20)19(23)18(17-8-4-3-5-9-17)13-16-7-6-10-21-14-16/h3-10,14,18H,11-13,15H2,1-2H3
InChIKeyBCFYYWQJCFDTMS-UHFFFAOYSA-N
XLogP3.05
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.42
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-(morpholin-4-ylmethyl)piperidin-1-yl]-2-phenyl-3-pyridin-3-ylpropan-1-one
CID 110624572
(2S)-2-amino-1-(3,3-dimethylmorpholin-4-yl)-3-phenylpropan-1-one
CID 61430243
2-(4-fluorophenyl)-1-morpholin-4-yl-3-pyridin-3-ylpropan-1-one
CID 110296410
2-phenyl-3-pyridin-3-ylpropanamide
CID 171502842
1-[2-(2-fluorophenyl)morpholin-4-yl]-2-phenyl-3-pyridin-3-ylpropan-1-one
CID 110609353
3-amino-1-(3,3-dimethylmorpholin-4-yl)-3-phenylpropan-1-one
CID 61430840
1-(3,3-dimethylmorpholin-4-yl)-3-(4-fluorophenyl)-2-methylpropan-1-one
CID 48862252
2-(4-fluorophenyl)-1-(4-methylpiperazin-1-yl)-3-pyridin-3-ylpropan-1-one
CID 110296415
N-[(4-methylphenyl)methyl]-2-phenyl-3-pyridin-3-ylpropanamide
CID 110409246
3-morpholin-4-yl-3-oxo-2-(pyridin-3-ylmethyl)propanenitrile
CID 82118256
2-(4-fluorophenyl)-1-(2-methylmorpholin-4-yl)-3-pyridin-3-ylpropan-1-one
CID 110310019
1-(3,3-dimethylmorpholin-4-yl)-2-(4-fluorophenyl)-3-methylbutan-1-one
CID 110313085

Frequently Asked Questions

What is the IUPAC name of 1-(3,3-dimethylmorpholin-4-yl)-2-phenyl-3-pyridin-3-ylpropan-1-one?
The IUPAC name of 1-(3,3-dimethylmorpholin-4-yl)-2-phenyl-3-pyridin-3-ylpropan-1-one (CID 110421746) is 1-(3,3-dimethylmorpholin-4-yl)-2-phenyl-3-pyridin-3-ylpropan-1-one.
What is the SMILES notation for 1-(3,3-dimethylmorpholin-4-yl)-2-phenyl-3-pyridin-3-ylpropan-1-one?
The canonical SMILES for 1-(3,3-dimethylmorpholin-4-yl)-2-phenyl-3-pyridin-3-ylpropan-1-one is CC1(C)COCCN1C(=O)C(Cc1cccnc1)c1ccccc1.
What is the InChIKey of 1-(3,3-dimethylmorpholin-4-yl)-2-phenyl-3-pyridin-3-ylpropan-1-one?
The InChIKey is BCFYYWQJCFDTMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O2/c1-20(2)15-24-12-11-22(20)19(23)18(17-8-4-3-5-9-17)13-16-7-6-10-21-14-16/h3-10,14,18H,11-13,15H2,1-2H3.
What are the key properties of 1-(3,3-dimethylmorpholin-4-yl)-2-phenyl-3-pyridin-3-ylpropan-1-one?
1-(3,3-dimethylmorpholin-4-yl)-2-phenyl-3-pyridin-3-ylpropan-1-one has a molecular weight of 324.42 g/mol, XLogP of 3.05, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,3-dimethylmorpholin-4-yl)-2-phenyl-3-pyridin-3-ylpropan-1-one is sourced from PubChem (CID 110421746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).