[(1R,2R)-2-(2-fluorophenyl)cyclopropyl]-[(3R,4R)-3-methyl-4-morpholin-4-ylpyrrolidin-1-yl]methanone

C19H25FN2O2 — CID 129462021

IUPAC[(1R,2R)-2-(2-fluorophenyl)cyclopropyl]-[(3R,4R)-3-methyl-4-morpholin-4-ylpyrrolidin-1-yl]methanone
SMILESC[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2ccccc2F)C[C@@H]1N1CCOCC1
InChIInChI=1S/C19H25FN2O2/c1-13-11-22(12-18(13)21-6-8-24-9-7-21)19(23)16-10-15(16)14-4-2-3-5-17(14)20/h2-5,13,15-16,18H,6-12H2,1H3/t13-,15+,16-,18+/m1/s1
InChIKeyVFQIIISTWGZITC-VUNQQRPYSA-N
MW332.42 g/mol
LogP2.11
Rot. Bonds3

About [(1R,2R)-2-(2-fluorophenyl)cyclopropyl]-[(3R,4R)-3-methyl-4-morpholin-4-ylpyrrolidin-1-yl]methanone

[(1R,2R)-2-(2-fluorophenyl)cyclopropyl]-[(3R,4R)-3-methyl-4-morpholin-4-ylpyrrolidin-1-yl]methanone (PubChem CID 129462021) has the molecular formula C19H25FN2O2 and a molecular weight of 332.42 g/mol. Its IUPAC name is [(1R,2R)-2-(2-fluorophenyl)cyclopropyl]-[(3R,4R)-3-methyl-4-morpholin-4-ylpyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name[(1R,2R)-2-(2-fluorophenyl)cyclopropyl]-[(3R,4R)-3-methyl-4-morpholin-4-ylpyrrolidin-1-yl]methanone
PubChem CID129462021
Molecular FormulaC19H25FN2O2
Molecular Weight332.42 g/mol
Exact Mass332.19
IUPAC Name[(1R,2R)-2-(2-fluorophenyl)cyclopropyl]-[(3R,4R)-3-methyl-4-morpholin-4-ylpyrrolidin-1-yl]methanone
SMILESC[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2ccccc2F)C[C@@H]1N1CCOCC1
InChIInChI=1S/C19H25FN2O2/c1-13-11-22(12-18(13)21-6-8-24-9-7-21)19(23)16-10-15(16)14-4-2-3-5-17(14)20/h2-5,13,15-16,18H,6-12H2,1H3/t13-,15+,16-,18+/m1/s1
InChIKeyVFQIIISTWGZITC-VUNQQRPYSA-N
XLogP2.11
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.42
LogP ≤ 52.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[(1S,2R)-2-(4-methoxyphenyl)cyclopropyl]-[(3R,4R)-3-methyl-4-morpholin-4-ylpyrrolidin-1-yl]methanone
CID 98772739
2-[4-[2-(2-fluorophenyl)cyclopropanecarbonyl]piperazin-1-yl]-1-morpholin-4-ylethanone
CID 86914646
(4-fluoronaphthalen-1-yl)-[(3S,4R)-3-methyl-4-morpholin-4-ylpyrrolidin-1-yl]methanone
CID 125140917
(2-fluoro-4-hydroxyphenyl)-[(3S,4S)-3-methyl-4-morpholin-4-ylpyrrolidin-1-yl]methanone
CID 97339474
[(3R,4R)-3-ethyl-4-morpholin-4-ylpyrrolidin-1-yl]-[(1R,2S)-2-pyridin-3-ylcyclopropyl]methanone
CID 97026333
(3,5-dimethylpiperidin-1-yl)-[2-[2-(trifluoromethyl)phenyl]cyclopropyl]methanone
CID 86914418
2-[(4R)-3,4-dihydro-2H-chromen-4-yl]-1-[(3R,4R)-3-methyl-4-morpholin-4-ylpyrrolidin-1-yl]ethanone
CID 100837733
[(1R,2S)-2-(2,3-difluorophenyl)cyclopropyl]-[(3R,5R)-3,5-dimethylpiperazin-1-yl]methanone
CID 124590610
(2-fluorophenyl)-[(3R,4R)-3-hydroxy-4-morpholin-4-ylpyrrolidin-1-yl]methanone
CID 110108209
[4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperazin-1-yl]-[(1S,2R)-2-(2-fluorophenyl)cyclopropyl]methanone
CID 52543843
[(1S,2R)-2-(2-fluorophenyl)cyclopropyl]-[(3R)-3-(5-methyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]methanone
CID 129426974
[(1R,2R)-2-(2-fluorophenyl)cyclopropyl]-[(3R)-3-(5-methyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]methanone
CID 129426975

Frequently Asked Questions

What is the IUPAC name of [(1R,2R)-2-(2-fluorophenyl)cyclopropyl]-[(3R,4R)-3-methyl-4-morpholin-4-ylpyrrolidin-1-yl]methanone?
The IUPAC name of [(1R,2R)-2-(2-fluorophenyl)cyclopropyl]-[(3R,4R)-3-methyl-4-morpholin-4-ylpyrrolidin-1-yl]methanone (CID 129462021) is [(1R,2R)-2-(2-fluorophenyl)cyclopropyl]-[(3R,4R)-3-methyl-4-morpholin-4-ylpyrrolidin-1-yl]methanone.
What is the SMILES notation for [(1R,2R)-2-(2-fluorophenyl)cyclopropyl]-[(3R,4R)-3-methyl-4-morpholin-4-ylpyrrolidin-1-yl]methanone?
The canonical SMILES for [(1R,2R)-2-(2-fluorophenyl)cyclopropyl]-[(3R,4R)-3-methyl-4-morpholin-4-ylpyrrolidin-1-yl]methanone is C[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2ccccc2F)C[C@@H]1N1CCOCC1.
What is the InChIKey of [(1R,2R)-2-(2-fluorophenyl)cyclopropyl]-[(3R,4R)-3-methyl-4-morpholin-4-ylpyrrolidin-1-yl]methanone?
The InChIKey is VFQIIISTWGZITC-VUNQQRPYSA-N. The full InChI is InChI=1S/C19H25FN2O2/c1-13-11-22(12-18(13)21-6-8-24-9-7-21)19(23)16-10-15(16)14-4-2-3-5-17(14)20/h2-5,13,15-16,18H,6-12H2,1H3/t13-,15+,16-,18+/m1/s1.
What are the key properties of [(1R,2R)-2-(2-fluorophenyl)cyclopropyl]-[(3R,4R)-3-methyl-4-morpholin-4-ylpyrrolidin-1-yl]methanone?
[(1R,2R)-2-(2-fluorophenyl)cyclopropyl]-[(3R,4R)-3-methyl-4-morpholin-4-ylpyrrolidin-1-yl]methanone has a molecular weight of 332.42 g/mol, XLogP of 2.11, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,2R)-2-(2-fluorophenyl)cyclopropyl]-[(3R,4R)-3-methyl-4-morpholin-4-ylpyrrolidin-1-yl]methanone is sourced from PubChem (CID 129462021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).