(2,5-dimethylimidazolidin-4-yl)-[(3R,4S)-3-fluoro-4-methoxypiperidin-1-yl]methanone

C12H22FN3O2 — CID 121247093

IUPAC(2,5-dimethylimidazolidin-4-yl)-[(3R,4S)-3-fluoro-4-methoxypiperidin-1-yl]methanone
SMILESCO[C@H]1CCN(C(=O)C2NC(C)NC2C)C[C@H]1F
InChIInChI=1S/C12H22FN3O2/c1-7-11(15-8(2)14-7)12(17)16-5-4-10(18-3)9(13)6-16/h7-11,14-15H,4-6H2,1-3H3/t7?,8?,9-,10+,11?/m1/s1
InChIKeySXGJPXXLPLZDGJ-FUYHWMMBSA-N
MW259.32 g/mol
LogP-0.13
Rot. Bonds2

About (2,5-dimethylimidazolidin-4-yl)-[(3R,4S)-3-fluoro-4-methoxypiperidin-1-yl]methanone

(2,5-dimethylimidazolidin-4-yl)-[(3R,4S)-3-fluoro-4-methoxypiperidin-1-yl]methanone (PubChem CID 121247093) has the molecular formula C12H22FN3O2 and a molecular weight of 259.32 g/mol. Its IUPAC name is (2,5-dimethylimidazolidin-4-yl)-[(3R,4S)-3-fluoro-4-methoxypiperidin-1-yl]methanone.

Molecular Properties

Compound Name(2,5-dimethylimidazolidin-4-yl)-[(3R,4S)-3-fluoro-4-methoxypiperidin-1-yl]methanone
PubChem CID121247093
Molecular FormulaC12H22FN3O2
Molecular Weight259.32 g/mol
Exact Mass259.17
IUPAC Name(2,5-dimethylimidazolidin-4-yl)-[(3R,4S)-3-fluoro-4-methoxypiperidin-1-yl]methanone
SMILESCO[C@H]1CCN(C(=O)C2NC(C)NC2C)C[C@H]1F
InChIInChI=1S/C12H22FN3O2/c1-7-11(15-8(2)14-7)12(17)16-5-4-10(18-3)9(13)6-16/h7-11,14-15H,4-6H2,1-3H3/t7?,8?,9-,10+,11?/m1/s1
InChIKeySXGJPXXLPLZDGJ-FUYHWMMBSA-N
XLogP-0.13
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.32
LogP ≤ 5-0.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2,5-dimethylimidazolidin-4-yl)-[(3R,4S)-3-fluoro-4-methoxypiperidin-1-yl]methanone?
The IUPAC name of (2,5-dimethylimidazolidin-4-yl)-[(3R,4S)-3-fluoro-4-methoxypiperidin-1-yl]methanone (CID 121247093) is (2,5-dimethylimidazolidin-4-yl)-[(3R,4S)-3-fluoro-4-methoxypiperidin-1-yl]methanone.
What is the SMILES notation for (2,5-dimethylimidazolidin-4-yl)-[(3R,4S)-3-fluoro-4-methoxypiperidin-1-yl]methanone?
The canonical SMILES for (2,5-dimethylimidazolidin-4-yl)-[(3R,4S)-3-fluoro-4-methoxypiperidin-1-yl]methanone is CO[C@H]1CCN(C(=O)C2NC(C)NC2C)C[C@H]1F.
What is the InChIKey of (2,5-dimethylimidazolidin-4-yl)-[(3R,4S)-3-fluoro-4-methoxypiperidin-1-yl]methanone?
The InChIKey is SXGJPXXLPLZDGJ-FUYHWMMBSA-N. The full InChI is InChI=1S/C12H22FN3O2/c1-7-11(15-8(2)14-7)12(17)16-5-4-10(18-3)9(13)6-16/h7-11,14-15H,4-6H2,1-3H3/t7?,8?,9-,10+,11?/m1/s1.
What are the key properties of (2,5-dimethylimidazolidin-4-yl)-[(3R,4S)-3-fluoro-4-methoxypiperidin-1-yl]methanone?
(2,5-dimethylimidazolidin-4-yl)-[(3R,4S)-3-fluoro-4-methoxypiperidin-1-yl]methanone has a molecular weight of 259.32 g/mol, XLogP of -0.13, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dimethylimidazolidin-4-yl)-[(3R,4S)-3-fluoro-4-methoxypiperidin-1-yl]methanone is sourced from PubChem (CID 121247093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).