1-[(2R,4S)-2-(morpholine-4-carbonyl)-4-phenoxypyrrolidin-1-yl]propan-1-one

C18H24N2O4 — CID 110196874

IUPAC1-[(2R,4S)-2-(morpholine-4-carbonyl)-4-phenoxypyrrolidin-1-yl]propan-1-one
SMILESCCC(=O)N1C[C@@H](Oc2ccccc2)C[C@@H]1C(=O)N1CCOCC1
InChIInChI=1S/C18H24N2O4/c1-2-17(21)20-13-15(24-14-6-4-3-5-7-14)12-16(20)18(22)19-8-10-23-11-9-19/h3-7,15-16H,2,8-13H2,1H3/t15-,16+/m0/s1
InChIKeyZRVQZZSWBMNPAG-JKSUJKDBSA-N
MW332.40 g/mol
LogP1.30
Rot. Bonds4

About 1-[(2R,4S)-2-(morpholine-4-carbonyl)-4-phenoxypyrrolidin-1-yl]propan-1-one

1-[(2R,4S)-2-(morpholine-4-carbonyl)-4-phenoxypyrrolidin-1-yl]propan-1-one (PubChem CID 110196874) has the molecular formula C18H24N2O4 and a molecular weight of 332.40 g/mol. Its IUPAC name is 1-[(2R,4S)-2-(morpholine-4-carbonyl)-4-phenoxypyrrolidin-1-yl]propan-1-one.

Molecular Properties

Compound Name1-[(2R,4S)-2-(morpholine-4-carbonyl)-4-phenoxypyrrolidin-1-yl]propan-1-one
PubChem CID110196874
Molecular FormulaC18H24N2O4
Molecular Weight332.40 g/mol
Exact Mass332.17
IUPAC Name1-[(2R,4S)-2-(morpholine-4-carbonyl)-4-phenoxypyrrolidin-1-yl]propan-1-one
SMILESCCC(=O)N1C[C@@H](Oc2ccccc2)C[C@@H]1C(=O)N1CCOCC1
InChIInChI=1S/C18H24N2O4/c1-2-17(21)20-13-15(24-14-6-4-3-5-7-14)12-16(20)18(22)19-8-10-23-11-9-19/h3-7,15-16H,2,8-13H2,1H3/t15-,16+/m0/s1
InChIKeyZRVQZZSWBMNPAG-JKSUJKDBSA-N
XLogP1.30
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.40
LogP ≤ 51.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(2R,4S)-2-(morpholine-4-carbonyl)-4-phenoxypyrrolidin-1-yl]-2-phenoxyethanone
CID 110196877
1-[(2S,4S)-2-(morpholine-4-carbonyl)-4-phenoxypyrrolidin-1-yl]ethanone
CID 110198184
(2S,4S)-N-methyl-2-(morpholine-4-carbonyl)-4-phenoxypyrrolidine-1-carboxamide
CID 110198215
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
(2R,4S)-N-(2-methoxyethyl)-4-phenoxy-1-propanoylpyrrolidine-2-carboxamide
CID 110196958
2-(4-fluorophenoxy)-1-[(2S,4S)-4-phenoxy-2-(pyrrolidine-1-carbonyl)pyrrolidin-1-yl]ethanone
CID 110198473
[(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-[(2S,4S)-4-(4-chlorophenoxy)-2-(pyrrolidine-1-carbonyl)pyrrolidin-1-yl]-4-phenylbutan-1-one
CID 14276400

Frequently Asked Questions

What is the IUPAC name of 1-[(2R,4S)-2-(morpholine-4-carbonyl)-4-phenoxypyrrolidin-1-yl]propan-1-one?
The IUPAC name of 1-[(2R,4S)-2-(morpholine-4-carbonyl)-4-phenoxypyrrolidin-1-yl]propan-1-one (CID 110196874) is 1-[(2R,4S)-2-(morpholine-4-carbonyl)-4-phenoxypyrrolidin-1-yl]propan-1-one.
What is the SMILES notation for 1-[(2R,4S)-2-(morpholine-4-carbonyl)-4-phenoxypyrrolidin-1-yl]propan-1-one?
The canonical SMILES for 1-[(2R,4S)-2-(morpholine-4-carbonyl)-4-phenoxypyrrolidin-1-yl]propan-1-one is CCC(=O)N1C[C@@H](Oc2ccccc2)C[C@@H]1C(=O)N1CCOCC1.
What is the InChIKey of 1-[(2R,4S)-2-(morpholine-4-carbonyl)-4-phenoxypyrrolidin-1-yl]propan-1-one?
The InChIKey is ZRVQZZSWBMNPAG-JKSUJKDBSA-N. The full InChI is InChI=1S/C18H24N2O4/c1-2-17(21)20-13-15(24-14-6-4-3-5-7-14)12-16(20)18(22)19-8-10-23-11-9-19/h3-7,15-16H,2,8-13H2,1H3/t15-,16+/m0/s1.
What are the key properties of 1-[(2R,4S)-2-(morpholine-4-carbonyl)-4-phenoxypyrrolidin-1-yl]propan-1-one?
1-[(2R,4S)-2-(morpholine-4-carbonyl)-4-phenoxypyrrolidin-1-yl]propan-1-one has a molecular weight of 332.40 g/mol, XLogP of 1.30, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R,4S)-2-(morpholine-4-carbonyl)-4-phenoxypyrrolidin-1-yl]propan-1-one is sourced from PubChem (CID 110196874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).