1-[(2S,3R,5R)-3,5-dimethyl-2-phenylmorpholin-4-yl]-3-pyridin-3-ylpropan-1-one

C20H24N2O2 — CID 100847911

IUPAC1-[(2S,3R,5R)-3,5-dimethyl-2-phenylmorpholin-4-yl]-3-pyridin-3-ylpropan-1-one
SMILESC[C@@H]1CO[C@@H](c2ccccc2)[C@@H](C)N1C(=O)CCc1cccnc1
InChIInChI=1S/C20H24N2O2/c1-15-14-24-20(18-8-4-3-5-9-18)16(2)22(15)19(23)11-10-17-7-6-12-21-13-17/h3-9,12-13,15-16,20H,10-11,14H2,1-2H3/t15-,16-,20-/m1/s1
InChIKeyDBMOYHXKQNBDNP-JXXFODFXSA-N
MW324.42 g/mol
LogP3.39
Rot. Bonds4

About 1-[(2S,3R,5R)-3,5-dimethyl-2-phenylmorpholin-4-yl]-3-pyridin-3-ylpropan-1-one

1-[(2S,3R,5R)-3,5-dimethyl-2-phenylmorpholin-4-yl]-3-pyridin-3-ylpropan-1-one (PubChem CID 100847911) has the molecular formula C20H24N2O2 and a molecular weight of 324.42 g/mol. Its IUPAC name is 1-[(2S,3R,5R)-3,5-dimethyl-2-phenylmorpholin-4-yl]-3-pyridin-3-ylpropan-1-one.

Molecular Properties

Compound Name1-[(2S,3R,5R)-3,5-dimethyl-2-phenylmorpholin-4-yl]-3-pyridin-3-ylpropan-1-one
PubChem CID100847911
Molecular FormulaC20H24N2O2
Molecular Weight324.42 g/mol
Exact Mass324.18
IUPAC Name1-[(2S,3R,5R)-3,5-dimethyl-2-phenylmorpholin-4-yl]-3-pyridin-3-ylpropan-1-one
SMILESC[C@@H]1CO[C@@H](c2ccccc2)[C@@H](C)N1C(=O)CCc1cccnc1
InChIInChI=1S/C20H24N2O2/c1-15-14-24-20(18-8-4-3-5-9-18)16(2)22(15)19(23)11-10-17-7-6-12-21-13-17/h3-9,12-13,15-16,20H,10-11,14H2,1-2H3/t15-,16-,20-/m1/s1
InChIKeyDBMOYHXKQNBDNP-JXXFODFXSA-N
XLogP3.39
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 ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-[(2S,3R,5R)-3,5-dimethyl-2-phenylmorpholin-4-yl]-3-pyridin-3-ylpropan-1-one with MolForge

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Related Compounds

3-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(2R,3R,5R)-3,5-dimethyl-2-phenylmorpholin-4-yl]propan-1-one
CID 100898420
2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(2R,3R,5R)-3,5-dimethyl-2-phenylmorpholin-4-yl]ethanone
CID 100891584
3-phenyl-1-(3-pyridin-3-ylazetidin-1-yl)propan-1-one
CID 56907792
1-(2-methylpiperazin-1-yl)-3-pyridin-3-ylpropan-1-one
CID 81478715
2-oxo-4-pyridin-3-ylbutanoic acid
CID 12014964
[(2S,3R,5R)-3,5-dimethyl-2-phenylmorpholin-4-yl]-quinoxalin-2-ylmethanone
CID 100847694
1-(4-phenylpiperazin-1-yl)-3-pyridin-3-ylpropan-1-one
CID 110853162
1-[(2R,3S,5R)-3,5-dimethyl-2-phenylmorpholin-4-yl]-2-[[(2S)-oxolan-2-yl]methylamino]ethanone
CID 125146662
1-[(1R,2R,4S)-2-benzyl-2-(hydroxymethyl)-7-azabicyclo[2.2.1]heptan-7-yl]-3-pyridin-3-ylpropan-1-one
CID 146039401
4-methyl-1-(3-pyridin-3-ylpropanoyl)piperidine-2-carboxylic acid
CID 114421990
1-[(3R)-3-methyl-3,4-dihydro-2H-quinolin-1-yl]-3-pyridin-3-ylpropan-1-one
CID 95326480
1-[5-(aminomethyl)-2-methylpiperidin-1-yl]-3-pyridin-3-ylpropan-1-one
CID 114289980

Frequently Asked Questions

What is the IUPAC name of 1-[(2S,3R,5R)-3,5-dimethyl-2-phenylmorpholin-4-yl]-3-pyridin-3-ylpropan-1-one?
The IUPAC name of 1-[(2S,3R,5R)-3,5-dimethyl-2-phenylmorpholin-4-yl]-3-pyridin-3-ylpropan-1-one (CID 100847911) is 1-[(2S,3R,5R)-3,5-dimethyl-2-phenylmorpholin-4-yl]-3-pyridin-3-ylpropan-1-one.
What is the SMILES notation for 1-[(2S,3R,5R)-3,5-dimethyl-2-phenylmorpholin-4-yl]-3-pyridin-3-ylpropan-1-one?
The canonical SMILES for 1-[(2S,3R,5R)-3,5-dimethyl-2-phenylmorpholin-4-yl]-3-pyridin-3-ylpropan-1-one is C[C@@H]1CO[C@@H](c2ccccc2)[C@@H](C)N1C(=O)CCc1cccnc1.
What is the InChIKey of 1-[(2S,3R,5R)-3,5-dimethyl-2-phenylmorpholin-4-yl]-3-pyridin-3-ylpropan-1-one?
The InChIKey is DBMOYHXKQNBDNP-JXXFODFXSA-N. The full InChI is InChI=1S/C20H24N2O2/c1-15-14-24-20(18-8-4-3-5-9-18)16(2)22(15)19(23)11-10-17-7-6-12-21-13-17/h3-9,12-13,15-16,20H,10-11,14H2,1-2H3/t15-,16-,20-/m1/s1.
What are the key properties of 1-[(2S,3R,5R)-3,5-dimethyl-2-phenylmorpholin-4-yl]-3-pyridin-3-ylpropan-1-one?
1-[(2S,3R,5R)-3,5-dimethyl-2-phenylmorpholin-4-yl]-3-pyridin-3-ylpropan-1-one has a molecular weight of 324.42 g/mol, XLogP of 3.39, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S,3R,5R)-3,5-dimethyl-2-phenylmorpholin-4-yl]-3-pyridin-3-ylpropan-1-one is sourced from PubChem (CID 100847911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).