3-[(2S,4R)-2-(3-fluorophenyl)-4-methylpyrrolidin-1-yl]-1-morpholin-4-ylpropan-1-one

C18H25FN2O2 — CID 96519422

IUPAC3-[(2S,4R)-2-(3-fluorophenyl)-4-methylpyrrolidin-1-yl]-1-morpholin-4-ylpropan-1-one
SMILESC[C@@H]1C[C@@H](c2cccc(F)c2)N(CCC(=O)N2CCOCC2)C1
InChIInChI=1S/C18H25FN2O2/c1-14-11-17(15-3-2-4-16(19)12-15)21(13-14)6-5-18(22)20-7-9-23-10-8-20/h2-4,12,14,17H,5-11,13H2,1H3/t14-,17+/m1/s1
InChIKeyWOJJQFZLHPCXRE-PBHICJAKSA-N
MW320.41 g/mol
LogP2.46
Rot. Bonds4

About 3-[(2S,4R)-2-(3-fluorophenyl)-4-methylpyrrolidin-1-yl]-1-morpholin-4-ylpropan-1-one

3-[(2S,4R)-2-(3-fluorophenyl)-4-methylpyrrolidin-1-yl]-1-morpholin-4-ylpropan-1-one (PubChem CID 96519422) has the molecular formula C18H25FN2O2 and a molecular weight of 320.41 g/mol. Its IUPAC name is 3-[(2S,4R)-2-(3-fluorophenyl)-4-methylpyrrolidin-1-yl]-1-morpholin-4-ylpropan-1-one.

Molecular Properties

Compound Name3-[(2S,4R)-2-(3-fluorophenyl)-4-methylpyrrolidin-1-yl]-1-morpholin-4-ylpropan-1-one
PubChem CID96519422
Molecular FormulaC18H25FN2O2
Molecular Weight320.41 g/mol
Exact Mass320.19
IUPAC Name3-[(2S,4R)-2-(3-fluorophenyl)-4-methylpyrrolidin-1-yl]-1-morpholin-4-ylpropan-1-one
SMILESC[C@@H]1C[C@@H](c2cccc(F)c2)N(CCC(=O)N2CCOCC2)C1
InChIInChI=1S/C18H25FN2O2/c1-14-11-17(15-3-2-4-16(19)12-15)21(13-14)6-5-18(22)20-7-9-23-10-8-20/h2-4,12,14,17H,5-11,13H2,1H3/t14-,17+/m1/s1
InChIKeyWOJJQFZLHPCXRE-PBHICJAKSA-N
XLogP2.46
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.41
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(2S,4S)-2-(4-fluorophenyl)-4-hydroxypyrrolidin-1-yl]-1-morpholin-4-ylpropan-1-one
CID 129346026
2-[2-(3-fluorophenyl)piperazin-1-yl]-1-morpholin-4-ylethanone
CID 120756389
2-(3-fluorophenyl)-4-methyl-N-(2-morpholin-4-ylethyl)pyrrolidine-1-carboxamide
CID 136528711
3-[4-(4-fluorophenyl)-2-methylpyrrolidin-1-yl]-1-morpholin-4-ylpropan-1-one
CID 56793687
2-amino-1-[2-(3-fluorophenyl)-4-methylpyrrolidin-1-yl]ethanone
CID 119329380
2-amino-1-[2-(3-fluorophenyl)-4-methylpyrrolidin-1-yl]ethanone;hydrochloride
CID 119329379
1-[(2R,4S)-2-(3-fluorophenyl)-4-methylpyrrolidin-1-yl]-3-methylsulfonylpropan-1-one
CID 95979608
1-[2-(3-fluorophenyl)-4-methylpyrrolidin-1-yl]-2-(methylamino)ethanone;hydrochloride
CID 119793860
7-amino-1-[2-(3-fluorophenyl)-4-methylpyrrolidin-1-yl]heptan-1-one;hydrochloride
CID 119793846
2-(3-fluorophenyl)-N,4-dimethylpyrrolidine-1-carboxamide
CID 136528712
3-amino-1-[2-(3-fluorophenyl)morpholin-4-yl]propan-1-one;hydrochloride
CID 119315907
3-[(2S,4R)-2-(4-fluorophenyl)-4-hydroxypyrrolidin-1-yl]-1-(4-methylpiperazin-1-yl)propan-1-one
CID 129350156

Frequently Asked Questions

What is the IUPAC name of 3-[(2S,4R)-2-(3-fluorophenyl)-4-methylpyrrolidin-1-yl]-1-morpholin-4-ylpropan-1-one?
The IUPAC name of 3-[(2S,4R)-2-(3-fluorophenyl)-4-methylpyrrolidin-1-yl]-1-morpholin-4-ylpropan-1-one (CID 96519422) is 3-[(2S,4R)-2-(3-fluorophenyl)-4-methylpyrrolidin-1-yl]-1-morpholin-4-ylpropan-1-one.
What is the SMILES notation for 3-[(2S,4R)-2-(3-fluorophenyl)-4-methylpyrrolidin-1-yl]-1-morpholin-4-ylpropan-1-one?
The canonical SMILES for 3-[(2S,4R)-2-(3-fluorophenyl)-4-methylpyrrolidin-1-yl]-1-morpholin-4-ylpropan-1-one is C[C@@H]1C[C@@H](c2cccc(F)c2)N(CCC(=O)N2CCOCC2)C1.
What is the InChIKey of 3-[(2S,4R)-2-(3-fluorophenyl)-4-methylpyrrolidin-1-yl]-1-morpholin-4-ylpropan-1-one?
The InChIKey is WOJJQFZLHPCXRE-PBHICJAKSA-N. The full InChI is InChI=1S/C18H25FN2O2/c1-14-11-17(15-3-2-4-16(19)12-15)21(13-14)6-5-18(22)20-7-9-23-10-8-20/h2-4,12,14,17H,5-11,13H2,1H3/t14-,17+/m1/s1.
What are the key properties of 3-[(2S,4R)-2-(3-fluorophenyl)-4-methylpyrrolidin-1-yl]-1-morpholin-4-ylpropan-1-one?
3-[(2S,4R)-2-(3-fluorophenyl)-4-methylpyrrolidin-1-yl]-1-morpholin-4-ylpropan-1-one has a molecular weight of 320.41 g/mol, XLogP of 2.46, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2S,4R)-2-(3-fluorophenyl)-4-methylpyrrolidin-1-yl]-1-morpholin-4-ylpropan-1-one is sourced from PubChem (CID 96519422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).