[(2S,4R)-4-fluoro-1-[(3-methylimidazol-4-yl)methyl]pyrrolidin-2-yl]-morpholin-4-ylmethanone

C14H21FN4O2 — CID 120949443

IUPAC[(2S,4R)-4-fluoro-1-[(3-methylimidazol-4-yl)methyl]pyrrolidin-2-yl]-morpholin-4-ylmethanone
SMILESCn1cncc1CN1C[C@H](F)C[C@H]1C(=O)N1CCOCC1
InChIInChI=1S/C14H21FN4O2/c1-17-10-16-7-12(17)9-19-8-11(15)6-13(19)14(20)18-2-4-21-5-3-18/h7,10-11,13H,2-6,8-9H2,1H3/t11-,13+/m1/s1
InChIKeyGAMAFIQFQVKZOM-YPMHNXCESA-N
MW296.35 g/mol
LogP0.19
Rot. Bonds3

About [(2S,4R)-4-fluoro-1-[(3-methylimidazol-4-yl)methyl]pyrrolidin-2-yl]-morpholin-4-ylmethanone

[(2S,4R)-4-fluoro-1-[(3-methylimidazol-4-yl)methyl]pyrrolidin-2-yl]-morpholin-4-ylmethanone (PubChem CID 120949443) has the molecular formula C14H21FN4O2 and a molecular weight of 296.35 g/mol. Its IUPAC name is [(2S,4R)-4-fluoro-1-[(3-methylimidazol-4-yl)methyl]pyrrolidin-2-yl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[(2S,4R)-4-fluoro-1-[(3-methylimidazol-4-yl)methyl]pyrrolidin-2-yl]-morpholin-4-ylmethanone
PubChem CID120949443
Molecular FormulaC14H21FN4O2
Molecular Weight296.35 g/mol
Exact Mass296.16
IUPAC Name[(2S,4R)-4-fluoro-1-[(3-methylimidazol-4-yl)methyl]pyrrolidin-2-yl]-morpholin-4-ylmethanone
SMILESCn1cncc1CN1C[C@H](F)C[C@H]1C(=O)N1CCOCC1
InChIInChI=1S/C14H21FN4O2/c1-17-10-16-7-12(17)9-19-8-11(15)6-13(19)14(20)18-2-4-21-5-3-18/h7,10-11,13H,2-6,8-9H2,1H3/t11-,13+/m1/s1
InChIKeyGAMAFIQFQVKZOM-YPMHNXCESA-N
XLogP0.19
TPSA50.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.35
LogP ≤ 50.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [(2S,4R)-4-fluoro-1-[(3-methylimidazol-4-yl)methyl]pyrrolidin-2-yl]-morpholin-4-ylmethanone?
The IUPAC name of [(2S,4R)-4-fluoro-1-[(3-methylimidazol-4-yl)methyl]pyrrolidin-2-yl]-morpholin-4-ylmethanone (CID 120949443) is [(2S,4R)-4-fluoro-1-[(3-methylimidazol-4-yl)methyl]pyrrolidin-2-yl]-morpholin-4-ylmethanone.
What is the SMILES notation for [(2S,4R)-4-fluoro-1-[(3-methylimidazol-4-yl)methyl]pyrrolidin-2-yl]-morpholin-4-ylmethanone?
The canonical SMILES for [(2S,4R)-4-fluoro-1-[(3-methylimidazol-4-yl)methyl]pyrrolidin-2-yl]-morpholin-4-ylmethanone is Cn1cncc1CN1C[C@H](F)C[C@H]1C(=O)N1CCOCC1.
What is the InChIKey of [(2S,4R)-4-fluoro-1-[(3-methylimidazol-4-yl)methyl]pyrrolidin-2-yl]-morpholin-4-ylmethanone?
The InChIKey is GAMAFIQFQVKZOM-YPMHNXCESA-N. The full InChI is InChI=1S/C14H21FN4O2/c1-17-10-16-7-12(17)9-19-8-11(15)6-13(19)14(20)18-2-4-21-5-3-18/h7,10-11,13H,2-6,8-9H2,1H3/t11-,13+/m1/s1.
What are the key properties of [(2S,4R)-4-fluoro-1-[(3-methylimidazol-4-yl)methyl]pyrrolidin-2-yl]-morpholin-4-ylmethanone?
[(2S,4R)-4-fluoro-1-[(3-methylimidazol-4-yl)methyl]pyrrolidin-2-yl]-morpholin-4-ylmethanone has a molecular weight of 296.35 g/mol, XLogP of 0.19, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,4R)-4-fluoro-1-[(3-methylimidazol-4-yl)methyl]pyrrolidin-2-yl]-morpholin-4-ylmethanone is sourced from PubChem (CID 120949443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).