[(3R,4R)-3-hydroxy-4-morpholin-4-ylpyrrolidin-1-yl]-(2-methyl-1-benzofuran-5-yl)methanone

C18H22N2O4 — CID 110108296

IUPAC[(3R,4R)-3-hydroxy-4-morpholin-4-ylpyrrolidin-1-yl]-(2-methyl-1-benzofuran-5-yl)methanone
SMILESCc1cc2cc(C(=O)N3C[C@@H](O)[C@H](N4CCOCC4)C3)ccc2o1
InChIInChI=1S/C18H22N2O4/c1-12-8-14-9-13(2-3-17(14)24-12)18(22)20-10-15(16(21)11-20)19-4-6-23-7-5-19/h2-3,8-9,15-16,21H,4-7,10-11H2,1H3/t15-,16-/m1/s1
InChIKeyVJUXJEAJYFHOSL-HZPDHXFCSA-N
MW330.38 g/mol
LogP1.26
Rot. Bonds2

About [(3R,4R)-3-hydroxy-4-morpholin-4-ylpyrrolidin-1-yl]-(2-methyl-1-benzofuran-5-yl)methanone

[(3R,4R)-3-hydroxy-4-morpholin-4-ylpyrrolidin-1-yl]-(2-methyl-1-benzofuran-5-yl)methanone (PubChem CID 110108296) has the molecular formula C18H22N2O4 and a molecular weight of 330.38 g/mol. Its IUPAC name is [(3R,4R)-3-hydroxy-4-morpholin-4-ylpyrrolidin-1-yl]-(2-methyl-1-benzofuran-5-yl)methanone.

Molecular Properties

Compound Name[(3R,4R)-3-hydroxy-4-morpholin-4-ylpyrrolidin-1-yl]-(2-methyl-1-benzofuran-5-yl)methanone
PubChem CID110108296
Molecular FormulaC18H22N2O4
Molecular Weight330.38 g/mol
Exact Mass330.16
IUPAC Name[(3R,4R)-3-hydroxy-4-morpholin-4-ylpyrrolidin-1-yl]-(2-methyl-1-benzofuran-5-yl)methanone
SMILESCc1cc2cc(C(=O)N3C[C@@H](O)[C@H](N4CCOCC4)C3)ccc2o1
InChIInChI=1S/C18H22N2O4/c1-12-8-14-9-13(2-3-17(14)24-12)18(22)20-10-15(16(21)11-20)19-4-6-23-7-5-19/h2-3,8-9,15-16,21H,4-7,10-11H2,1H3/t15-,16-/m1/s1
InChIKeyVJUXJEAJYFHOSL-HZPDHXFCSA-N
XLogP1.26
TPSA66.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.38
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [(3R,4R)-3-hydroxy-4-morpholin-4-ylpyrrolidin-1-yl]-(2-methyl-1-benzofuran-5-yl)methanone with MolForge

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Related Compounds

(6-hydroxy-1,4-oxazepan-4-yl)-(2-methyl-1-benzofuran-5-yl)methanone
CID 74231738
[3-(4,6-dimethylpyrimidin-2-yl)pyrrolidin-1-yl]-(2-methyl-1-benzofuran-5-yl)methanone
CID 110259339
1-[2-methyl-5-[(3S,4R)-3-methyl-4-morpholin-4-ylpyrrolidine-1-carbonyl]phenyl]ethanone
CID 124627145
[4-(3-hydroxy-3-methylbutyl)phenyl]-[(3S,4S)-3-hydroxy-4-morpholin-4-ylpyrrolidin-1-yl]methanone
CID 56909674
[3-(difluoromethoxy)phenyl]-[(3S,4S)-3-hydroxy-4-morpholin-4-ylpyrrolidin-1-yl]methanone
CID 91759745
[(3R,4R)-3-hydroxy-4-morpholin-4-ylpyrrolidin-1-yl]-(1H-indol-2-yl)methanone
CID 110108358
[(3R,4S,5R)-4,5-dihydroxy-3-morpholin-4-ylazepan-1-yl]-(5-methyl-1-benzofuran-2-yl)methanone
CID 110164615
(5,7-dimethylpyrazolo[1,5-a]pyrimidin-2-yl)-[(3R,4R)-3-hydroxy-4-morpholin-4-ylpyrrolidin-1-yl]methanone
CID 110108250
[(3R,4R)-3-hydroxy-4-morpholin-4-ylpyrrolidin-1-yl]-(5-methylimidazo[1,2-a]pyridin-2-yl)methanone
CID 110108328
(2-fluorophenyl)-[(3R,4R)-3-hydroxy-4-morpholin-4-ylpyrrolidin-1-yl]methanone
CID 110108209
(2-methyl-1-benzofuran-5-yl)-(2-pyrazin-2-ylmorpholin-4-yl)methanone
CID 127246298
(2-methyl-1-benzofuran-5-yl)-[3-(6-phenyl-2-pyridinyl)piperidin-1-yl]methanone
CID 110089978

Frequently Asked Questions

What is the IUPAC name of [(3R,4R)-3-hydroxy-4-morpholin-4-ylpyrrolidin-1-yl]-(2-methyl-1-benzofuran-5-yl)methanone?
The IUPAC name of [(3R,4R)-3-hydroxy-4-morpholin-4-ylpyrrolidin-1-yl]-(2-methyl-1-benzofuran-5-yl)methanone (CID 110108296) is [(3R,4R)-3-hydroxy-4-morpholin-4-ylpyrrolidin-1-yl]-(2-methyl-1-benzofuran-5-yl)methanone.
What is the SMILES notation for [(3R,4R)-3-hydroxy-4-morpholin-4-ylpyrrolidin-1-yl]-(2-methyl-1-benzofuran-5-yl)methanone?
The canonical SMILES for [(3R,4R)-3-hydroxy-4-morpholin-4-ylpyrrolidin-1-yl]-(2-methyl-1-benzofuran-5-yl)methanone is Cc1cc2cc(C(=O)N3C[C@@H](O)[C@H](N4CCOCC4)C3)ccc2o1.
What is the InChIKey of [(3R,4R)-3-hydroxy-4-morpholin-4-ylpyrrolidin-1-yl]-(2-methyl-1-benzofuran-5-yl)methanone?
The InChIKey is VJUXJEAJYFHOSL-HZPDHXFCSA-N. The full InChI is InChI=1S/C18H22N2O4/c1-12-8-14-9-13(2-3-17(14)24-12)18(22)20-10-15(16(21)11-20)19-4-6-23-7-5-19/h2-3,8-9,15-16,21H,4-7,10-11H2,1H3/t15-,16-/m1/s1.
What are the key properties of [(3R,4R)-3-hydroxy-4-morpholin-4-ylpyrrolidin-1-yl]-(2-methyl-1-benzofuran-5-yl)methanone?
[(3R,4R)-3-hydroxy-4-morpholin-4-ylpyrrolidin-1-yl]-(2-methyl-1-benzofuran-5-yl)methanone has a molecular weight of 330.38 g/mol, XLogP of 1.26, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R,4R)-3-hydroxy-4-morpholin-4-ylpyrrolidin-1-yl]-(2-methyl-1-benzofuran-5-yl)methanone is sourced from PubChem (CID 110108296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).