[(3R,4S)-3-fluoro-4-methoxypiperidin-1-yl]-imidazolidin-4-ylmethanone

C10H18FN3O2 — CID 121265233

IUPAC[(3R,4S)-3-fluoro-4-methoxypiperidin-1-yl]-imidazolidin-4-ylmethanone
SMILESCO[C@H]1CCN(C(=O)C2CNCN2)C[C@H]1F
InChIInChI=1S/C10H18FN3O2/c1-16-9-2-3-14(5-7(9)11)10(15)8-4-12-6-13-8/h7-9,12-13H,2-6H2,1H3/t7-,8?,9+/m1/s1
InChIKeyCRVPDKNKEIFZMB-NBXIYJJMSA-N
MW231.27 g/mol
LogP-0.91
Rot. Bonds2

About [(3R,4S)-3-fluoro-4-methoxypiperidin-1-yl]-imidazolidin-4-ylmethanone

[(3R,4S)-3-fluoro-4-methoxypiperidin-1-yl]-imidazolidin-4-ylmethanone (PubChem CID 121265233) has the molecular formula C10H18FN3O2 and a molecular weight of 231.27 g/mol. Its IUPAC name is [(3R,4S)-3-fluoro-4-methoxypiperidin-1-yl]-imidazolidin-4-ylmethanone.

Molecular Properties

Compound Name[(3R,4S)-3-fluoro-4-methoxypiperidin-1-yl]-imidazolidin-4-ylmethanone
PubChem CID121265233
Molecular FormulaC10H18FN3O2
Molecular Weight231.27 g/mol
Exact Mass231.14
IUPAC Name[(3R,4S)-3-fluoro-4-methoxypiperidin-1-yl]-imidazolidin-4-ylmethanone
SMILESCO[C@H]1CCN(C(=O)C2CNCN2)C[C@H]1F
InChIInChI=1S/C10H18FN3O2/c1-16-9-2-3-14(5-7(9)11)10(15)8-4-12-6-13-8/h7-9,12-13H,2-6H2,1H3/t7-,8?,9+/m1/s1
InChIKeyCRVPDKNKEIFZMB-NBXIYJJMSA-N
XLogP-0.91
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.27
LogP ≤ 5-0.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [(3R,4S)-3-fluoro-4-methoxypiperidin-1-yl]-imidazolidin-4-ylmethanone?
The IUPAC name of [(3R,4S)-3-fluoro-4-methoxypiperidin-1-yl]-imidazolidin-4-ylmethanone (CID 121265233) is [(3R,4S)-3-fluoro-4-methoxypiperidin-1-yl]-imidazolidin-4-ylmethanone.
What is the SMILES notation for [(3R,4S)-3-fluoro-4-methoxypiperidin-1-yl]-imidazolidin-4-ylmethanone?
The canonical SMILES for [(3R,4S)-3-fluoro-4-methoxypiperidin-1-yl]-imidazolidin-4-ylmethanone is CO[C@H]1CCN(C(=O)C2CNCN2)C[C@H]1F.
What is the InChIKey of [(3R,4S)-3-fluoro-4-methoxypiperidin-1-yl]-imidazolidin-4-ylmethanone?
The InChIKey is CRVPDKNKEIFZMB-NBXIYJJMSA-N. The full InChI is InChI=1S/C10H18FN3O2/c1-16-9-2-3-14(5-7(9)11)10(15)8-4-12-6-13-8/h7-9,12-13H,2-6H2,1H3/t7-,8?,9+/m1/s1.
What are the key properties of [(3R,4S)-3-fluoro-4-methoxypiperidin-1-yl]-imidazolidin-4-ylmethanone?
[(3R,4S)-3-fluoro-4-methoxypiperidin-1-yl]-imidazolidin-4-ylmethanone has a molecular weight of 231.27 g/mol, XLogP of -0.91, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R,4S)-3-fluoro-4-methoxypiperidin-1-yl]-imidazolidin-4-ylmethanone is sourced from PubChem (CID 121265233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).