1-[(3R,4R)-3-hydroxy-4-morpholin-4-ylpyrrolidin-1-yl]-2-(2-methylphenyl)ethanone

C17H24N2O3 — CID 110108268

IUPAC1-[(3R,4R)-3-hydroxy-4-morpholin-4-ylpyrrolidin-1-yl]-2-(2-methylphenyl)ethanone
SMILESCc1ccccc1CC(=O)N1C[C@@H](O)[C@H](N2CCOCC2)C1
InChIInChI=1S/C17H24N2O3/c1-13-4-2-3-5-14(13)10-17(21)19-11-15(16(20)12-19)18-6-8-22-9-7-18/h2-5,15-16,20H,6-12H2,1H3/t15-,16-/m1/s1
InChIKeyAPHJEGNRUCOGEB-HZPDHXFCSA-N
MW304.39 g/mol
LogP0.44
Rot. Bonds3

About 1-[(3R,4R)-3-hydroxy-4-morpholin-4-ylpyrrolidin-1-yl]-2-(2-methylphenyl)ethanone

1-[(3R,4R)-3-hydroxy-4-morpholin-4-ylpyrrolidin-1-yl]-2-(2-methylphenyl)ethanone (PubChem CID 110108268) has the molecular formula C17H24N2O3 and a molecular weight of 304.39 g/mol. Its IUPAC name is 1-[(3R,4R)-3-hydroxy-4-morpholin-4-ylpyrrolidin-1-yl]-2-(2-methylphenyl)ethanone.

Molecular Properties

Compound Name1-[(3R,4R)-3-hydroxy-4-morpholin-4-ylpyrrolidin-1-yl]-2-(2-methylphenyl)ethanone
PubChem CID110108268
Molecular FormulaC17H24N2O3
Molecular Weight304.39 g/mol
Exact Mass304.18
IUPAC Name1-[(3R,4R)-3-hydroxy-4-morpholin-4-ylpyrrolidin-1-yl]-2-(2-methylphenyl)ethanone
SMILESCc1ccccc1CC(=O)N1C[C@@H](O)[C@H](N2CCOCC2)C1
InChIInChI=1S/C17H24N2O3/c1-13-4-2-3-5-14(13)10-17(21)19-11-15(16(20)12-19)18-6-8-22-9-7-18/h2-5,15-16,20H,6-12H2,1H3/t15-,16-/m1/s1
InChIKeyAPHJEGNRUCOGEB-HZPDHXFCSA-N
XLogP0.44
TPSA53.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 50.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-Methylphenyl)-1-morpholin-4-ylethanone
CID 6468639
methyl (4aR,5S,8aS)-4-[2-(3,4-difluorophenyl)acetyl]-5-[(3S)-3-hydroxypyrrolidin-1-yl]-2,3,4a,5,6,7,8,8a-octahydroquinoxaline-1-carboxylate
CID 137639991
2-(2-Methylphenyl)-1-[4-(oxolan-2-ylcarbonyl)piperazinyl]ethan-1-one
CID 6465369
1-(2,6-Dimethylmorpholin-4-yl)-2-(2-methylphenyl)ethanone
CID 17127008
1-[4-Acetyl-2-((S)-3-hydroxy-pyrrolidin-1-ylmethyl)-piperazin-1-yl]-2-(4-methylsulfanyl-phenyl)-ethanone
CID 44458640
1-[4-Acetyl-2-((S)-3-hydroxy-pyrrolidin-1-ylmethyl)-piperazin-1-yl]-2-(3,5-difluoro-phenyl)-ethanone
CID 44458703
1-[4-Acetyl-2-((S)-3-hydroxy-pyrrolidin-1-ylmethyl)-piperazin-1-yl]-2-phenyl-ethanone
CID 44458725
1-[4-Acetyl-2-((S)-3-hydroxy-pyrrolidin-1-ylmethyl)-piperazin-1-yl]-2-(4-trifluoromethyl-phenyl)-ethanone
CID 44459016
N-[(1S)-2-[(3S)-3-hydroxypyrrolidin-1-yl]-1-phenylethyl]-N,3-dimethyl-2-phenylbutanamide;hydrochloride
CID 45262656
1-[2-[(3-Hydroxypyrrolidin-1-yl)methyl]-3,3-dimethylpiperidin-1-yl]-2-[4-(trifluoromethyl)phenyl]ethanone
CID 23190316
1-[2-[(3-Hydroxypyrrolidin-1-yl)methyl]-4,4-dimethylpiperidin-1-yl]-2-[4-(trifluoromethyl)phenyl]ethanone
CID 44210731
(3S)-1-({2-[(2R,6S)-2,6-dimethyl-4-morpholinyl]-2,3-dihydro-1H-inden-2-yl}carbonyl)-3-pyrrolidinol
CID 25279092

Frequently Asked Questions

What is the IUPAC name of 1-[(3R,4R)-3-hydroxy-4-morpholin-4-ylpyrrolidin-1-yl]-2-(2-methylphenyl)ethanone?
The IUPAC name of 1-[(3R,4R)-3-hydroxy-4-morpholin-4-ylpyrrolidin-1-yl]-2-(2-methylphenyl)ethanone (CID 110108268) is 1-[(3R,4R)-3-hydroxy-4-morpholin-4-ylpyrrolidin-1-yl]-2-(2-methylphenyl)ethanone.
What is the SMILES notation for 1-[(3R,4R)-3-hydroxy-4-morpholin-4-ylpyrrolidin-1-yl]-2-(2-methylphenyl)ethanone?
The canonical SMILES for 1-[(3R,4R)-3-hydroxy-4-morpholin-4-ylpyrrolidin-1-yl]-2-(2-methylphenyl)ethanone is Cc1ccccc1CC(=O)N1C[C@@H](O)[C@H](N2CCOCC2)C1.
What is the InChIKey of 1-[(3R,4R)-3-hydroxy-4-morpholin-4-ylpyrrolidin-1-yl]-2-(2-methylphenyl)ethanone?
The InChIKey is APHJEGNRUCOGEB-HZPDHXFCSA-N. The full InChI is InChI=1S/C17H24N2O3/c1-13-4-2-3-5-14(13)10-17(21)19-11-15(16(20)12-19)18-6-8-22-9-7-18/h2-5,15-16,20H,6-12H2,1H3/t15-,16-/m1/s1.
What are the key properties of 1-[(3R,4R)-3-hydroxy-4-morpholin-4-ylpyrrolidin-1-yl]-2-(2-methylphenyl)ethanone?
1-[(3R,4R)-3-hydroxy-4-morpholin-4-ylpyrrolidin-1-yl]-2-(2-methylphenyl)ethanone has a molecular weight of 304.39 g/mol, XLogP of 0.44, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3R,4R)-3-hydroxy-4-morpholin-4-ylpyrrolidin-1-yl]-2-(2-methylphenyl)ethanone is sourced from PubChem (CID 110108268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).