morpholin-4-yl-[(2S,4S)-1-(1-phenylcyclopropanecarbonyl)-4-pyridin-3-yloxypyrrolidin-2-yl]methanone

C24H27N3O4 — CID 110198675

IUPACmorpholin-4-yl-[(2S,4S)-1-(1-phenylcyclopropanecarbonyl)-4-pyridin-3-yloxypyrrolidin-2-yl]methanone
SMILESO=C([C@@H]1C[C@H](Oc2cccnc2)CN1C(=O)C1(c2ccccc2)CC1)N1CCOCC1
InChIInChI=1S/C24H27N3O4/c28-22(26-11-13-30-14-12-26)21-15-20(31-19-7-4-10-25-16-19)17-27(21)23(29)24(8-9-24)18-5-2-1-3-6-18/h1-7,10,16,20-21H,8-9,11-15,17H2/t20-,21-/m0/s1
InChIKeyDGWSHPSNUXKJBB-SFTDATJTSA-N
MW421.50 g/mol
LogP2.02
Rot. Bonds5

About morpholin-4-yl-[(2S,4S)-1-(1-phenylcyclopropanecarbonyl)-4-pyridin-3-yloxypyrrolidin-2-yl]methanone

morpholin-4-yl-[(2S,4S)-1-(1-phenylcyclopropanecarbonyl)-4-pyridin-3-yloxypyrrolidin-2-yl]methanone (PubChem CID 110198675) has the molecular formula C24H27N3O4 and a molecular weight of 421.50 g/mol. Its IUPAC name is morpholin-4-yl-[(2S,4S)-1-(1-phenylcyclopropanecarbonyl)-4-pyridin-3-yloxypyrrolidin-2-yl]methanone.

Molecular Properties

Compound Namemorpholin-4-yl-[(2S,4S)-1-(1-phenylcyclopropanecarbonyl)-4-pyridin-3-yloxypyrrolidin-2-yl]methanone
PubChem CID110198675
Molecular FormulaC24H27N3O4
Molecular Weight421.50 g/mol
Exact Mass421.20
IUPAC Namemorpholin-4-yl-[(2S,4S)-1-(1-phenylcyclopropanecarbonyl)-4-pyridin-3-yloxypyrrolidin-2-yl]methanone
SMILESO=C([C@@H]1C[C@H](Oc2cccnc2)CN1C(=O)C1(c2ccccc2)CC1)N1CCOCC1
InChIInChI=1S/C24H27N3O4/c28-22(26-11-13-30-14-12-26)21-15-20(31-19-7-4-10-25-16-19)17-27(21)23(29)24(8-9-24)18-5-2-1-3-6-18/h1-7,10,16,20-21H,8-9,11-15,17H2/t20-,21-/m0/s1
InChIKeyDGWSHPSNUXKJBB-SFTDATJTSA-N
XLogP2.02
TPSA71.97 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.50
LogP ≤ 52.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

morpholin-4-yl-[4-phenoxy-1-(pyridine-4-carbonyl)pyrrolidin-2-yl]methanone
CID 171142070
1-[(2S,4S)-2-(morpholine-4-carbonyl)-4-phenoxypyrrolidin-1-yl]ethanone
CID 110198184
[(2S,4S)-1-(3-methylbenzoyl)-4-pyridin-3-yloxypyrrolidin-2-yl]-morpholin-4-ylmethanone
CID 110198632
morpholin-4-yl-[(2S,4S)-4-phenoxy-1-(pyridine-2-carbonyl)pyrrolidin-2-yl]methanone
CID 110198171
[(2S,4S)-1-(1,5-dimethylpyrazole-3-carbonyl)-4-pyridin-3-yloxypyrrolidin-2-yl]-morpholin-4-ylmethanone
CID 110198684
(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
[(2R,4S)-1-(1-methylimidazol-4-yl)sulfonyl-4-pyridin-3-yloxypyrrolidin-2-yl]-morpholin-4-ylmethanone
CID 110196990
(2S,4S)-N-cyclopropyl-4-phenoxy-1-(1-phenylcyclopropanecarbonyl)pyrrolidine-2-carboxamide
CID 110198593
[(2S,4S)-1-(pyridine-2-carbonyl)-4-pyridin-3-yloxypyrrolidin-2-yl]-pyrrolidin-1-ylmethanone
CID 110198917
[(2R,4S)-1-(benzenesulfonyl)-4-phenoxypyrrolidin-2-yl]-morpholin-4-ylmethanone
CID 110196831

Frequently Asked Questions

What is the IUPAC name of morpholin-4-yl-[(2S,4S)-1-(1-phenylcyclopropanecarbonyl)-4-pyridin-3-yloxypyrrolidin-2-yl]methanone?
The IUPAC name of morpholin-4-yl-[(2S,4S)-1-(1-phenylcyclopropanecarbonyl)-4-pyridin-3-yloxypyrrolidin-2-yl]methanone (CID 110198675) is morpholin-4-yl-[(2S,4S)-1-(1-phenylcyclopropanecarbonyl)-4-pyridin-3-yloxypyrrolidin-2-yl]methanone.
What is the SMILES notation for morpholin-4-yl-[(2S,4S)-1-(1-phenylcyclopropanecarbonyl)-4-pyridin-3-yloxypyrrolidin-2-yl]methanone?
The canonical SMILES for morpholin-4-yl-[(2S,4S)-1-(1-phenylcyclopropanecarbonyl)-4-pyridin-3-yloxypyrrolidin-2-yl]methanone is O=C([C@@H]1C[C@H](Oc2cccnc2)CN1C(=O)C1(c2ccccc2)CC1)N1CCOCC1.
What is the InChIKey of morpholin-4-yl-[(2S,4S)-1-(1-phenylcyclopropanecarbonyl)-4-pyridin-3-yloxypyrrolidin-2-yl]methanone?
The InChIKey is DGWSHPSNUXKJBB-SFTDATJTSA-N. The full InChI is InChI=1S/C24H27N3O4/c28-22(26-11-13-30-14-12-26)21-15-20(31-19-7-4-10-25-16-19)17-27(21)23(29)24(8-9-24)18-5-2-1-3-6-18/h1-7,10,16,20-21H,8-9,11-15,17H2/t20-,21-/m0/s1.
What are the key properties of morpholin-4-yl-[(2S,4S)-1-(1-phenylcyclopropanecarbonyl)-4-pyridin-3-yloxypyrrolidin-2-yl]methanone?
morpholin-4-yl-[(2S,4S)-1-(1-phenylcyclopropanecarbonyl)-4-pyridin-3-yloxypyrrolidin-2-yl]methanone has a molecular weight of 421.50 g/mol, XLogP of 2.02, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for morpholin-4-yl-[(2S,4S)-1-(1-phenylcyclopropanecarbonyl)-4-pyridin-3-yloxypyrrolidin-2-yl]methanone is sourced from PubChem (CID 110198675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).