1-[(2S)-2-(4-fluorophenyl)morpholin-4-yl]-2-[(2R)-2-[(2S)-2-hydroxypropyl]piperidin-1-yl]ethanone

C20H29FN2O3 — CID 124864293

IUPAC1-[(2S)-2-(4-fluorophenyl)morpholin-4-yl]-2-[(2R)-2-[(2S)-2-hydroxypropyl]piperidin-1-yl]ethanone
SMILESC[C@H](O)C[C@H]1CCCCN1CC(=O)N1CCO[C@@H](c2ccc(F)cc2)C1
InChIInChI=1S/C20H29FN2O3/c1-15(24)12-18-4-2-3-9-22(18)14-20(25)23-10-11-26-19(13-23)16-5-7-17(21)8-6-16/h5-8,15,18-19,24H,2-4,9-14H2,1H3/t15-,18+,19+/m0/s1
InChIKeyXLAXANMYUMRDGA-KFKAGJAMSA-N
MW364.46 g/mol
LogP2.35
Rot. Bonds5

About 1-[(2S)-2-(4-fluorophenyl)morpholin-4-yl]-2-[(2R)-2-[(2S)-2-hydroxypropyl]piperidin-1-yl]ethanone

1-[(2S)-2-(4-fluorophenyl)morpholin-4-yl]-2-[(2R)-2-[(2S)-2-hydroxypropyl]piperidin-1-yl]ethanone (PubChem CID 124864293) has the molecular formula C20H29FN2O3 and a molecular weight of 364.46 g/mol. Its IUPAC name is 1-[(2S)-2-(4-fluorophenyl)morpholin-4-yl]-2-[(2R)-2-[(2S)-2-hydroxypropyl]piperidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[(2S)-2-(4-fluorophenyl)morpholin-4-yl]-2-[(2R)-2-[(2S)-2-hydroxypropyl]piperidin-1-yl]ethanone
PubChem CID124864293
Molecular FormulaC20H29FN2O3
Molecular Weight364.46 g/mol
Exact Mass364.22
IUPAC Name1-[(2S)-2-(4-fluorophenyl)morpholin-4-yl]-2-[(2R)-2-[(2S)-2-hydroxypropyl]piperidin-1-yl]ethanone
SMILESC[C@H](O)C[C@H]1CCCCN1CC(=O)N1CCO[C@@H](c2ccc(F)cc2)C1
InChIInChI=1S/C20H29FN2O3/c1-15(24)12-18-4-2-3-9-22(18)14-20(25)23-10-11-26-19(13-23)16-5-7-17(21)8-6-16/h5-8,15,18-19,24H,2-4,9-14H2,1H3/t15-,18+,19+/m0/s1
InChIKeyXLAXANMYUMRDGA-KFKAGJAMSA-N
XLogP2.35
TPSA53.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.46
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-cyclopentyl-1-[(2S)-2-(4-fluorophenyl)morpholin-4-yl]ethanone
CID 94823425
2-chloro-1-[(2R)-2-(4-fluorophenyl)morpholin-4-yl]ethanone
CID 51889846
3-[2-(4-fluorophenyl)morpholin-4-yl]-3-oxopropanoic acid
CID 62231452
1-[2-(4-ethylphenyl)morpholin-4-yl]-2-(4-fluorophenyl)ethanone
CID 110364011
2-(4-fluoroanilino)-1-[2-(4-fluorophenyl)morpholin-4-yl]ethanone
CID 146126544
1-[2-(4-fluorophenyl)morpholin-4-yl]-2-[methyl(1-phenylethyl)amino]ethanone
CID 60500482
1-[(2S)-2-(4-fluorophenyl)morpholin-4-yl]-2-(2-methylphenyl)ethanone
CID 38372872
2-bromo-1-[2-(4-fluorophenyl)morpholin-4-yl]propan-1-one
CID 107904527
2-[2-[2-(4-fluorophenyl)morpholin-4-yl]-2-oxoethyl]-4-methylphthalazin-1-one
CID 134044387
(2R)-2-amino-1-[2-(4-fluorophenyl)morpholin-4-yl]propan-1-one;hydrochloride
CID 119112319
N-[1-[2-(4-fluorophenyl)morpholin-4-yl]-1-oxopropan-2-yl]cyclobutanecarboxamide
CID 71934061
N-[4-[2-(4-fluorophenyl)morpholin-4-yl]-4-oxobutan-2-yl]benzamide
CID 46579437

Frequently Asked Questions

What is the IUPAC name of 1-[(2S)-2-(4-fluorophenyl)morpholin-4-yl]-2-[(2R)-2-[(2S)-2-hydroxypropyl]piperidin-1-yl]ethanone?
The IUPAC name of 1-[(2S)-2-(4-fluorophenyl)morpholin-4-yl]-2-[(2R)-2-[(2S)-2-hydroxypropyl]piperidin-1-yl]ethanone (CID 124864293) is 1-[(2S)-2-(4-fluorophenyl)morpholin-4-yl]-2-[(2R)-2-[(2S)-2-hydroxypropyl]piperidin-1-yl]ethanone.
What is the SMILES notation for 1-[(2S)-2-(4-fluorophenyl)morpholin-4-yl]-2-[(2R)-2-[(2S)-2-hydroxypropyl]piperidin-1-yl]ethanone?
The canonical SMILES for 1-[(2S)-2-(4-fluorophenyl)morpholin-4-yl]-2-[(2R)-2-[(2S)-2-hydroxypropyl]piperidin-1-yl]ethanone is C[C@H](O)C[C@H]1CCCCN1CC(=O)N1CCO[C@@H](c2ccc(F)cc2)C1.
What is the InChIKey of 1-[(2S)-2-(4-fluorophenyl)morpholin-4-yl]-2-[(2R)-2-[(2S)-2-hydroxypropyl]piperidin-1-yl]ethanone?
The InChIKey is XLAXANMYUMRDGA-KFKAGJAMSA-N. The full InChI is InChI=1S/C20H29FN2O3/c1-15(24)12-18-4-2-3-9-22(18)14-20(25)23-10-11-26-19(13-23)16-5-7-17(21)8-6-16/h5-8,15,18-19,24H,2-4,9-14H2,1H3/t15-,18+,19+/m0/s1.
What are the key properties of 1-[(2S)-2-(4-fluorophenyl)morpholin-4-yl]-2-[(2R)-2-[(2S)-2-hydroxypropyl]piperidin-1-yl]ethanone?
1-[(2S)-2-(4-fluorophenyl)morpholin-4-yl]-2-[(2R)-2-[(2S)-2-hydroxypropyl]piperidin-1-yl]ethanone has a molecular weight of 364.46 g/mol, XLogP of 2.35, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S)-2-(4-fluorophenyl)morpholin-4-yl]-2-[(2R)-2-[(2S)-2-hydroxypropyl]piperidin-1-yl]ethanone is sourced from PubChem (CID 124864293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).