1-[3-[3-fluoro-3-(hydroxymethyl)piperidine-1-carbonyl]azetidin-1-yl]ethanone

C12H19FN2O3 — CID 167906859

IUPAC1-[3-[3-fluoro-3-(hydroxymethyl)piperidine-1-carbonyl]azetidin-1-yl]ethanone
SMILESCC(=O)N1CC(C(=O)N2CCCC(F)(CO)C2)C1
InChIInChI=1S/C12H19FN2O3/c1-9(17)15-5-10(6-15)11(18)14-4-2-3-12(13,7-14)8-16/h10,16H,2-8H2,1H3
InChIKeyKFYAYRVCIUMSLI-UHFFFAOYSA-N
MW258.29 g/mol
LogP-0.21
Rot. Bonds2

About 1-[3-[3-fluoro-3-(hydroxymethyl)piperidine-1-carbonyl]azetidin-1-yl]ethanone

1-[3-[3-fluoro-3-(hydroxymethyl)piperidine-1-carbonyl]azetidin-1-yl]ethanone (PubChem CID 167906859) has the molecular formula C12H19FN2O3 and a molecular weight of 258.29 g/mol. Its IUPAC name is 1-[3-[3-fluoro-3-(hydroxymethyl)piperidine-1-carbonyl]azetidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[3-[3-fluoro-3-(hydroxymethyl)piperidine-1-carbonyl]azetidin-1-yl]ethanone
PubChem CID167906859
Molecular FormulaC12H19FN2O3
Molecular Weight258.29 g/mol
Exact Mass258.14
IUPAC Name1-[3-[3-fluoro-3-(hydroxymethyl)piperidine-1-carbonyl]azetidin-1-yl]ethanone
SMILESCC(=O)N1CC(C(=O)N2CCCC(F)(CO)C2)C1
InChIInChI=1S/C12H19FN2O3/c1-9(17)15-5-10(6-15)11(18)14-4-2-3-12(13,7-14)8-16/h10,16H,2-8H2,1H3
InChIKeyKFYAYRVCIUMSLI-UHFFFAOYSA-N
XLogP-0.21
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.29
LogP ≤ 5-0.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[3-[3-fluoro-3-(hydroxymethyl)piperidine-1-carbonyl]azetidin-1-yl]ethanone?
The IUPAC name of 1-[3-[3-fluoro-3-(hydroxymethyl)piperidine-1-carbonyl]azetidin-1-yl]ethanone (CID 167906859) is 1-[3-[3-fluoro-3-(hydroxymethyl)piperidine-1-carbonyl]azetidin-1-yl]ethanone.
What is the SMILES notation for 1-[3-[3-fluoro-3-(hydroxymethyl)piperidine-1-carbonyl]azetidin-1-yl]ethanone?
The canonical SMILES for 1-[3-[3-fluoro-3-(hydroxymethyl)piperidine-1-carbonyl]azetidin-1-yl]ethanone is CC(=O)N1CC(C(=O)N2CCCC(F)(CO)C2)C1.
What is the InChIKey of 1-[3-[3-fluoro-3-(hydroxymethyl)piperidine-1-carbonyl]azetidin-1-yl]ethanone?
The InChIKey is KFYAYRVCIUMSLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19FN2O3/c1-9(17)15-5-10(6-15)11(18)14-4-2-3-12(13,7-14)8-16/h10,16H,2-8H2,1H3.
What are the key properties of 1-[3-[3-fluoro-3-(hydroxymethyl)piperidine-1-carbonyl]azetidin-1-yl]ethanone?
1-[3-[3-fluoro-3-(hydroxymethyl)piperidine-1-carbonyl]azetidin-1-yl]ethanone has a molecular weight of 258.29 g/mol, XLogP of -0.21, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[3-fluoro-3-(hydroxymethyl)piperidine-1-carbonyl]azetidin-1-yl]ethanone is sourced from PubChem (CID 167906859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).