N-[(2S)-1-[(3R,4S)-3-fluoro-4-methoxypiperidin-1-yl]-1-oxopropan-2-yl]acetamide

C11H19FN2O3 — CID 121247088

IUPACN-[(2S)-1-[(3R,4S)-3-fluoro-4-methoxypiperidin-1-yl]-1-oxopropan-2-yl]acetamide
SMILESCO[C@H]1CCN(C(=O)[C@H](C)NC(C)=O)C[C@H]1F
InChIInChI=1S/C11H19FN2O3/c1-7(13-8(2)15)11(16)14-5-4-10(17-3)9(12)6-14/h7,9-10H,4-6H2,1-3H3,(H,13,15)/t7-,9+,10-/m0/s1
InChIKeySAKJLUSHVFCZFO-SFGNSQDASA-N
MW246.28 g/mol
LogP0.10
Rot. Bonds3

About N-[(2S)-1-[(3R,4S)-3-fluoro-4-methoxypiperidin-1-yl]-1-oxopropan-2-yl]acetamide

N-[(2S)-1-[(3R,4S)-3-fluoro-4-methoxypiperidin-1-yl]-1-oxopropan-2-yl]acetamide (PubChem CID 121247088) has the molecular formula C11H19FN2O3 and a molecular weight of 246.28 g/mol. Its IUPAC name is N-[(2S)-1-[(3R,4S)-3-fluoro-4-methoxypiperidin-1-yl]-1-oxopropan-2-yl]acetamide.

Molecular Properties

Compound NameN-[(2S)-1-[(3R,4S)-3-fluoro-4-methoxypiperidin-1-yl]-1-oxopropan-2-yl]acetamide
PubChem CID121247088
Molecular FormulaC11H19FN2O3
Molecular Weight246.28 g/mol
Exact Mass246.14
IUPAC NameN-[(2S)-1-[(3R,4S)-3-fluoro-4-methoxypiperidin-1-yl]-1-oxopropan-2-yl]acetamide
SMILESCO[C@H]1CCN(C(=O)[C@H](C)NC(C)=O)C[C@H]1F
InChIInChI=1S/C11H19FN2O3/c1-7(13-8(2)15)11(16)14-5-4-10(17-3)9(12)6-14/h7,9-10H,4-6H2,1-3H3,(H,13,15)/t7-,9+,10-/m0/s1
InChIKeySAKJLUSHVFCZFO-SFGNSQDASA-N
XLogP0.10
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.28
LogP ≤ 50.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-[(3R,4S)-3-fluoro-4-methoxypiperidin-1-yl]-1-oxopropan-2-yl]acetamide?
The IUPAC name of N-[(2S)-1-[(3R,4S)-3-fluoro-4-methoxypiperidin-1-yl]-1-oxopropan-2-yl]acetamide (CID 121247088) is N-[(2S)-1-[(3R,4S)-3-fluoro-4-methoxypiperidin-1-yl]-1-oxopropan-2-yl]acetamide.
What is the SMILES notation for N-[(2S)-1-[(3R,4S)-3-fluoro-4-methoxypiperidin-1-yl]-1-oxopropan-2-yl]acetamide?
The canonical SMILES for N-[(2S)-1-[(3R,4S)-3-fluoro-4-methoxypiperidin-1-yl]-1-oxopropan-2-yl]acetamide is CO[C@H]1CCN(C(=O)[C@H](C)NC(C)=O)C[C@H]1F.
What is the InChIKey of N-[(2S)-1-[(3R,4S)-3-fluoro-4-methoxypiperidin-1-yl]-1-oxopropan-2-yl]acetamide?
The InChIKey is SAKJLUSHVFCZFO-SFGNSQDASA-N. The full InChI is InChI=1S/C11H19FN2O3/c1-7(13-8(2)15)11(16)14-5-4-10(17-3)9(12)6-14/h7,9-10H,4-6H2,1-3H3,(H,13,15)/t7-,9+,10-/m0/s1.
What are the key properties of N-[(2S)-1-[(3R,4S)-3-fluoro-4-methoxypiperidin-1-yl]-1-oxopropan-2-yl]acetamide?
N-[(2S)-1-[(3R,4S)-3-fluoro-4-methoxypiperidin-1-yl]-1-oxopropan-2-yl]acetamide has a molecular weight of 246.28 g/mol, XLogP of 0.10, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-[(3R,4S)-3-fluoro-4-methoxypiperidin-1-yl]-1-oxopropan-2-yl]acetamide is sourced from PubChem (CID 121247088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).