1-[(2S,4S)-2-(morpholine-4-carbonyl)-4-phenoxypyrrolidin-1-yl]ethanone

C17H22N2O4 — CID 110198184

IUPAC1-[(2S,4S)-2-(morpholine-4-carbonyl)-4-phenoxypyrrolidin-1-yl]ethanone
SMILESCC(=O)N1C[C@@H](Oc2ccccc2)C[C@H]1C(=O)N1CCOCC1
InChIInChI=1S/C17H22N2O4/c1-13(20)19-12-15(23-14-5-3-2-4-6-14)11-16(19)17(21)18-7-9-22-10-8-18/h2-6,15-16H,7-12H2,1H3/t15-,16-/m0/s1
InChIKeyLAUZQPWMBKGKHM-HOTGVXAUSA-N
MW318.37 g/mol
LogP0.91
Rot. Bonds3

About 1-[(2S,4S)-2-(morpholine-4-carbonyl)-4-phenoxypyrrolidin-1-yl]ethanone

1-[(2S,4S)-2-(morpholine-4-carbonyl)-4-phenoxypyrrolidin-1-yl]ethanone (PubChem CID 110198184) has the molecular formula C17H22N2O4 and a molecular weight of 318.37 g/mol. Its IUPAC name is 1-[(2S,4S)-2-(morpholine-4-carbonyl)-4-phenoxypyrrolidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[(2S,4S)-2-(morpholine-4-carbonyl)-4-phenoxypyrrolidin-1-yl]ethanone
PubChem CID110198184
Molecular FormulaC17H22N2O4
Molecular Weight318.37 g/mol
Exact Mass318.16
IUPAC Name1-[(2S,4S)-2-(morpholine-4-carbonyl)-4-phenoxypyrrolidin-1-yl]ethanone
SMILESCC(=O)N1C[C@@H](Oc2ccccc2)C[C@H]1C(=O)N1CCOCC1
InChIInChI=1S/C17H22N2O4/c1-13(20)19-12-15(23-14-5-3-2-4-6-14)11-16(19)17(21)18-7-9-22-10-8-18/h2-6,15-16H,7-12H2,1H3/t15-,16-/m0/s1
InChIKeyLAUZQPWMBKGKHM-HOTGVXAUSA-N
XLogP0.91
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.37
LogP ≤ 50.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(2S,4S)-N-methyl-2-(morpholine-4-carbonyl)-4-phenoxypyrrolidine-1-carboxamide
CID 110198215
1-[(2R,4S)-2-(morpholine-4-carbonyl)-4-phenoxypyrrolidin-1-yl]propan-1-one
CID 110196874
1-[(2R,4S)-2-(morpholine-4-carbonyl)-4-phenoxypyrrolidin-1-yl]-2-phenoxyethanone
CID 110196877
morpholin-4-yl-[4-phenoxy-1-(pyridine-4-carbonyl)pyrrolidin-2-yl]methanone
CID 171142070
morpholin-4-yl-[(2S,4S)-4-phenoxy-1-(pyridine-2-carbonyl)pyrrolidin-2-yl]methanone
CID 110198171
[(2R,4S)-1-(benzenesulfonyl)-4-phenoxypyrrolidin-2-yl]-morpholin-4-ylmethanone
CID 110196831
morpholin-4-yl-[(2S,4S)-1-(1-phenylcyclopropanecarbonyl)-4-pyridin-3-yloxypyrrolidin-2-yl]methanone
CID 110198675
[(2S,4S)-1-(3-methylbenzoyl)-4-pyridin-3-yloxypyrrolidin-2-yl]-morpholin-4-ylmethanone
CID 110198632
[(2S,4S)-1-(1,5-dimethylpyrazole-3-carbonyl)-4-pyridin-3-yloxypyrrolidin-2-yl]-morpholin-4-ylmethanone
CID 110198684
1-[(2R,4S)-2-(4-benzyl-1,4-diazepane-1-carbonyl)-4-(3-fluorophenoxy)pyrrolidin-1-yl]ethanone
CID 46888162
[(2S,4S)-1-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-4-phenoxypyrrolidin-2-yl]-pyrrolidin-1-ylmethanone
CID 110198486
oxan-4-yl-[(6R)-6-phenoxy-1,4-oxazepan-4-yl]methanone
CID 75411596

Frequently Asked Questions

What is the IUPAC name of 1-[(2S,4S)-2-(morpholine-4-carbonyl)-4-phenoxypyrrolidin-1-yl]ethanone?
The IUPAC name of 1-[(2S,4S)-2-(morpholine-4-carbonyl)-4-phenoxypyrrolidin-1-yl]ethanone (CID 110198184) is 1-[(2S,4S)-2-(morpholine-4-carbonyl)-4-phenoxypyrrolidin-1-yl]ethanone.
What is the SMILES notation for 1-[(2S,4S)-2-(morpholine-4-carbonyl)-4-phenoxypyrrolidin-1-yl]ethanone?
The canonical SMILES for 1-[(2S,4S)-2-(morpholine-4-carbonyl)-4-phenoxypyrrolidin-1-yl]ethanone is CC(=O)N1C[C@@H](Oc2ccccc2)C[C@H]1C(=O)N1CCOCC1.
What is the InChIKey of 1-[(2S,4S)-2-(morpholine-4-carbonyl)-4-phenoxypyrrolidin-1-yl]ethanone?
The InChIKey is LAUZQPWMBKGKHM-HOTGVXAUSA-N. The full InChI is InChI=1S/C17H22N2O4/c1-13(20)19-12-15(23-14-5-3-2-4-6-14)11-16(19)17(21)18-7-9-22-10-8-18/h2-6,15-16H,7-12H2,1H3/t15-,16-/m0/s1.
What are the key properties of 1-[(2S,4S)-2-(morpholine-4-carbonyl)-4-phenoxypyrrolidin-1-yl]ethanone?
1-[(2S,4S)-2-(morpholine-4-carbonyl)-4-phenoxypyrrolidin-1-yl]ethanone has a molecular weight of 318.37 g/mol, XLogP of 0.91, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S,4S)-2-(morpholine-4-carbonyl)-4-phenoxypyrrolidin-1-yl]ethanone is sourced from PubChem (CID 110198184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).