(4-fluoronaphthalen-1-yl)-[(3S,4R)-3-methyl-4-morpholin-4-ylpyrrolidin-1-yl]methanone

C20H23FN2O2 — CID 125140917

IUPAC(4-fluoronaphthalen-1-yl)-[(3S,4R)-3-methyl-4-morpholin-4-ylpyrrolidin-1-yl]methanone
SMILESC[C@H]1CN(C(=O)c2ccc(F)c3ccccc23)C[C@@H]1N1CCOCC1
InChIInChI=1S/C20H23FN2O2/c1-14-12-23(13-19(14)22-8-10-25-11-9-22)20(24)17-6-7-18(21)16-5-3-2-4-15(16)17/h2-7,14,19H,8-13H2,1H3/t14-,19-/m0/s1
InChIKeyHTWQGLIIVABBHT-LIRRHRJNSA-N
MW342.41 g/mol
LogP2.77
Rot. Bonds2

About (4-fluoronaphthalen-1-yl)-[(3S,4R)-3-methyl-4-morpholin-4-ylpyrrolidin-1-yl]methanone

(4-fluoronaphthalen-1-yl)-[(3S,4R)-3-methyl-4-morpholin-4-ylpyrrolidin-1-yl]methanone (PubChem CID 125140917) has the molecular formula C20H23FN2O2 and a molecular weight of 342.41 g/mol. Its IUPAC name is (4-fluoronaphthalen-1-yl)-[(3S,4R)-3-methyl-4-morpholin-4-ylpyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name(4-fluoronaphthalen-1-yl)-[(3S,4R)-3-methyl-4-morpholin-4-ylpyrrolidin-1-yl]methanone
PubChem CID125140917
Molecular FormulaC20H23FN2O2
Molecular Weight342.41 g/mol
Exact Mass342.17
IUPAC Name(4-fluoronaphthalen-1-yl)-[(3S,4R)-3-methyl-4-morpholin-4-ylpyrrolidin-1-yl]methanone
SMILESC[C@H]1CN(C(=O)c2ccc(F)c3ccccc23)C[C@@H]1N1CCOCC1
InChIInChI=1S/C20H23FN2O2/c1-14-12-23(13-19(14)22-8-10-25-11-9-22)20(24)17-6-7-18(21)16-5-3-2-4-15(16)17/h2-7,14,19H,8-13H2,1H3/t14-,19-/m0/s1
InChIKeyHTWQGLIIVABBHT-LIRRHRJNSA-N
XLogP2.77
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.41
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(2-fluoro-4-hydroxyphenyl)-[(3S,4S)-3-methyl-4-morpholin-4-ylpyrrolidin-1-yl]methanone
CID 97339474
(2-fluorophenyl)-[(3R,4R)-3-hydroxy-4-morpholin-4-ylpyrrolidin-1-yl]methanone
CID 110108209
[(1R,2R)-2-(2-fluorophenyl)cyclopropyl]-[(3R,4R)-3-methyl-4-morpholin-4-ylpyrrolidin-1-yl]methanone
CID 129462021
(1-ethyl-3-propan-2-ylpyrazol-4-yl)-[(3S,4R)-3-methyl-4-morpholin-4-ylpyrrolidin-1-yl]methanone
CID 96513095
(1-ethyl-3-propan-2-ylpyrazol-4-yl)-[(3R,4R)-3-methyl-4-morpholin-4-ylpyrrolidin-1-yl]methanone
CID 96513096
(3,5-dimethyl-1,2-oxazol-4-yl)-[(3R,4S)-3-methyl-4-morpholin-4-ylpyrrolidin-1-yl]methanone
CID 95780593
(3S)-4-[(3R,4R)-3-methyl-4-morpholin-4-ylpyrrolidin-1-yl]-4-oxo-3-phenylbutanenitrile
CID 97340968
2-(4-aminophenyl)-1-(3-methyl-4-morpholin-4-ylpyrrolidin-1-yl)ethanone
CID 119899571
(3,4-difluoro-2-methoxyphenyl)-morpholin-4-ylmethanone
CID 164512719
2-[(4R)-3,4-dihydro-2H-chromen-4-yl]-1-[(3R,4R)-3-methyl-4-morpholin-4-ylpyrrolidin-1-yl]ethanone
CID 100837733
(4-fluoronaphthalen-1-yl)-[(2R)-2-[(3S,4R)-4-hydroxyoxan-3-yl]pyrrolidin-1-yl]methanone
CID 129447181
(2R)-2-amino-1-(3-methyl-4-morpholin-4-ylpyrrolidin-1-yl)propan-1-one
CID 119899591

Frequently Asked Questions

What is the IUPAC name of (4-fluoronaphthalen-1-yl)-[(3S,4R)-3-methyl-4-morpholin-4-ylpyrrolidin-1-yl]methanone?
The IUPAC name of (4-fluoronaphthalen-1-yl)-[(3S,4R)-3-methyl-4-morpholin-4-ylpyrrolidin-1-yl]methanone (CID 125140917) is (4-fluoronaphthalen-1-yl)-[(3S,4R)-3-methyl-4-morpholin-4-ylpyrrolidin-1-yl]methanone.
What is the SMILES notation for (4-fluoronaphthalen-1-yl)-[(3S,4R)-3-methyl-4-morpholin-4-ylpyrrolidin-1-yl]methanone?
The canonical SMILES for (4-fluoronaphthalen-1-yl)-[(3S,4R)-3-methyl-4-morpholin-4-ylpyrrolidin-1-yl]methanone is C[C@H]1CN(C(=O)c2ccc(F)c3ccccc23)C[C@@H]1N1CCOCC1.
What is the InChIKey of (4-fluoronaphthalen-1-yl)-[(3S,4R)-3-methyl-4-morpholin-4-ylpyrrolidin-1-yl]methanone?
The InChIKey is HTWQGLIIVABBHT-LIRRHRJNSA-N. The full InChI is InChI=1S/C20H23FN2O2/c1-14-12-23(13-19(14)22-8-10-25-11-9-22)20(24)17-6-7-18(21)16-5-3-2-4-15(16)17/h2-7,14,19H,8-13H2,1H3/t14-,19-/m0/s1.
What are the key properties of (4-fluoronaphthalen-1-yl)-[(3S,4R)-3-methyl-4-morpholin-4-ylpyrrolidin-1-yl]methanone?
(4-fluoronaphthalen-1-yl)-[(3S,4R)-3-methyl-4-morpholin-4-ylpyrrolidin-1-yl]methanone has a molecular weight of 342.41 g/mol, XLogP of 2.77, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-fluoronaphthalen-1-yl)-[(3S,4R)-3-methyl-4-morpholin-4-ylpyrrolidin-1-yl]methanone is sourced from PubChem (CID 125140917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).