2-(3-fluoro-4-methoxypiperidin-1-yl)propanamide

C9H17FN2O2 — CID 118208339

IUPAC2-(3-fluoro-4-methoxypiperidin-1-yl)propanamide
SMILESCOC1CCN(C(C)C(N)=O)CC1F
InChIInChI=1S/C9H17FN2O2/c1-6(9(11)13)12-4-3-8(14-2)7(10)5-12/h6-8H,3-5H2,1-2H3,(H2,11,13)
InChIKeyPXHXPSHXDNOBFB-UHFFFAOYSA-N
MW204.24 g/mol
LogP-0.08
Rot. Bonds3

About 2-(3-fluoro-4-methoxypiperidin-1-yl)propanamide

2-(3-fluoro-4-methoxypiperidin-1-yl)propanamide (PubChem CID 118208339) has the molecular formula C9H17FN2O2 and a molecular weight of 204.24 g/mol. Its IUPAC name is 2-(3-fluoro-4-methoxypiperidin-1-yl)propanamide.

Molecular Properties

Compound Name2-(3-fluoro-4-methoxypiperidin-1-yl)propanamide
PubChem CID118208339
Molecular FormulaC9H17FN2O2
Molecular Weight204.24 g/mol
Exact Mass204.13
IUPAC Name2-(3-fluoro-4-methoxypiperidin-1-yl)propanamide
SMILESCOC1CCN(C(C)C(N)=O)CC1F
InChIInChI=1S/C9H17FN2O2/c1-6(9(11)13)12-4-3-8(14-2)7(10)5-12/h6-8H,3-5H2,1-2H3,(H2,11,13)
InChIKeyPXHXPSHXDNOBFB-UHFFFAOYSA-N
XLogP-0.08
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.24
LogP ≤ 5-0.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3-fluoro-4-methoxypiperidin-1-yl)propanamide?
The IUPAC name of 2-(3-fluoro-4-methoxypiperidin-1-yl)propanamide (CID 118208339) is 2-(3-fluoro-4-methoxypiperidin-1-yl)propanamide.
What is the SMILES notation for 2-(3-fluoro-4-methoxypiperidin-1-yl)propanamide?
The canonical SMILES for 2-(3-fluoro-4-methoxypiperidin-1-yl)propanamide is COC1CCN(C(C)C(N)=O)CC1F.
What is the InChIKey of 2-(3-fluoro-4-methoxypiperidin-1-yl)propanamide?
The InChIKey is PXHXPSHXDNOBFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17FN2O2/c1-6(9(11)13)12-4-3-8(14-2)7(10)5-12/h6-8H,3-5H2,1-2H3,(H2,11,13).
What are the key properties of 2-(3-fluoro-4-methoxypiperidin-1-yl)propanamide?
2-(3-fluoro-4-methoxypiperidin-1-yl)propanamide has a molecular weight of 204.24 g/mol, XLogP of -0.08, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluoro-4-methoxypiperidin-1-yl)propanamide is sourced from PubChem (CID 118208339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).