(5R)-5-[(3R)-3-fluoro-4-methoxypiperidine-1-carbonyl]pyrrolidin-2-one

C11H17FN2O3 — CID 121265380

IUPAC(5R)-5-[(3R)-3-fluoro-4-methoxypiperidine-1-carbonyl]pyrrolidin-2-one
SMILESCOC1CCN(C(=O)[C@H]2CCC(=O)N2)C[C@H]1F
InChIInChI=1S/C11H17FN2O3/c1-17-9-4-5-14(6-7(9)12)11(16)8-2-3-10(15)13-8/h7-9H,2-6H2,1H3,(H,13,15)/t7-,8-,9?/m1/s1
InChIKeyGKGGTKADYWPUQU-ZAZKALAHSA-N
MW244.27 g/mol
LogP-0.15
Rot. Bonds2

About (5R)-5-[(3R)-3-fluoro-4-methoxypiperidine-1-carbonyl]pyrrolidin-2-one

(5R)-5-[(3R)-3-fluoro-4-methoxypiperidine-1-carbonyl]pyrrolidin-2-one (PubChem CID 121265380) has the molecular formula C11H17FN2O3 and a molecular weight of 244.27 g/mol. Its IUPAC name is (5R)-5-[(3R)-3-fluoro-4-methoxypiperidine-1-carbonyl]pyrrolidin-2-one.

Molecular Properties

Compound Name(5R)-5-[(3R)-3-fluoro-4-methoxypiperidine-1-carbonyl]pyrrolidin-2-one
PubChem CID121265380
Molecular FormulaC11H17FN2O3
Molecular Weight244.27 g/mol
Exact Mass244.12
IUPAC Name(5R)-5-[(3R)-3-fluoro-4-methoxypiperidine-1-carbonyl]pyrrolidin-2-one
SMILESCOC1CCN(C(=O)[C@H]2CCC(=O)N2)C[C@H]1F
InChIInChI=1S/C11H17FN2O3/c1-17-9-4-5-14(6-7(9)12)11(16)8-2-3-10(15)13-8/h7-9H,2-6H2,1H3,(H,13,15)/t7-,8-,9?/m1/s1
InChIKeyGKGGTKADYWPUQU-ZAZKALAHSA-N
XLogP-0.15
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.27
LogP ≤ 5-0.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (5R)-5-[(3R)-3-fluoro-4-methoxypiperidine-1-carbonyl]pyrrolidin-2-one?
The IUPAC name of (5R)-5-[(3R)-3-fluoro-4-methoxypiperidine-1-carbonyl]pyrrolidin-2-one (CID 121265380) is (5R)-5-[(3R)-3-fluoro-4-methoxypiperidine-1-carbonyl]pyrrolidin-2-one.
What is the SMILES notation for (5R)-5-[(3R)-3-fluoro-4-methoxypiperidine-1-carbonyl]pyrrolidin-2-one?
The canonical SMILES for (5R)-5-[(3R)-3-fluoro-4-methoxypiperidine-1-carbonyl]pyrrolidin-2-one is COC1CCN(C(=O)[C@H]2CCC(=O)N2)C[C@H]1F.
What is the InChIKey of (5R)-5-[(3R)-3-fluoro-4-methoxypiperidine-1-carbonyl]pyrrolidin-2-one?
The InChIKey is GKGGTKADYWPUQU-ZAZKALAHSA-N. The full InChI is InChI=1S/C11H17FN2O3/c1-17-9-4-5-14(6-7(9)12)11(16)8-2-3-10(15)13-8/h7-9H,2-6H2,1H3,(H,13,15)/t7-,8-,9?/m1/s1.
What are the key properties of (5R)-5-[(3R)-3-fluoro-4-methoxypiperidine-1-carbonyl]pyrrolidin-2-one?
(5R)-5-[(3R)-3-fluoro-4-methoxypiperidine-1-carbonyl]pyrrolidin-2-one has a molecular weight of 244.27 g/mol, XLogP of -0.15, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-[(3R)-3-fluoro-4-methoxypiperidine-1-carbonyl]pyrrolidin-2-one is sourced from PubChem (CID 121265380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).