1-[1-(5-fluoropyrimidin-2-yl)piperidin-2-yl]ethanone

C11H14FN3O — CID 104606098

IUPAC1-[1-(5-fluoropyrimidin-2-yl)piperidin-2-yl]ethanone
SMILESCC(=O)C1CCCCN1c1ncc(F)cn1
InChIInChI=1S/C11H14FN3O/c1-8(16)10-4-2-3-5-15(10)11-13-6-9(12)7-14-11/h6-7,10H,2-5H2,1H3
InChIKeyYDGPXHOYSSVAGJ-UHFFFAOYSA-N
MW223.25 g/mol
LogP1.56
Rot. Bonds2

About 1-[1-(5-fluoropyrimidin-2-yl)piperidin-2-yl]ethanone

1-[1-(5-fluoropyrimidin-2-yl)piperidin-2-yl]ethanone (PubChem CID 104606098) has the molecular formula C11H14FN3O and a molecular weight of 223.25 g/mol. Its IUPAC name is 1-[1-(5-fluoropyrimidin-2-yl)piperidin-2-yl]ethanone.

Molecular Properties

Compound Name1-[1-(5-fluoropyrimidin-2-yl)piperidin-2-yl]ethanone
PubChem CID104606098
Molecular FormulaC11H14FN3O
Molecular Weight223.25 g/mol
Exact Mass223.11
IUPAC Name1-[1-(5-fluoropyrimidin-2-yl)piperidin-2-yl]ethanone
SMILESCC(=O)C1CCCCN1c1ncc(F)cn1
InChIInChI=1S/C11H14FN3O/c1-8(16)10-4-2-3-5-15(10)11-13-6-9(12)7-14-11/h6-7,10H,2-5H2,1H3
InChIKeyYDGPXHOYSSVAGJ-UHFFFAOYSA-N
XLogP1.56
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.25
LogP ≤ 51.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-(5-Fluoropyrimidin-2-yl)-3-propylpiperazin-2-one
CID 75514582
8-(5-(Trifluoromethyl)pyrimidin-2-yl)-8-azabicyclo[3.2.1]octan-3-one
CID 57708423
1-[1-(5-Fluoropyrimidin-2-yl)piperidin-4-yl]ethanone
CID 104606097
N-[1-(5-fluoropyrimidin-2-yl)piperidin-4-yl]-N,2-dimethylpropanamide
CID 132176620
N-[1-(5-fluoropyrimidin-2-yl)piperidin-4-yl]-N-methylacetamide
CID 132182583
N-[1-(5-fluoropyrimidin-2-yl)piperidin-4-yl]-N-methylpropanamide
CID 132182936
4-Methyl-1-[5-(trifluoromethyl)pyrimidin-2-yl]piperidin-3-one
CID 169655468
4-(5-Fluoropyrimidin-2-yl)butan-2-one
CID 170609767
2-Methyl-1-[5-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-one
CID 177936768
1-(5-Fluoropyrimidin-2-yl)piperidine-2-carboxylic acid
CID 60137811
1-(2-Chloro-5-fluoropyrimidin-4-yl)piperidine-2-carboxamide
CID 79080631
1-[5-fluoro-2-(propylamino)pyrimidin-4-yl]-N-methylpiperidine-2-carboxamide
CID 80785095

Frequently Asked Questions

What is the IUPAC name of 1-[1-(5-fluoropyrimidin-2-yl)piperidin-2-yl]ethanone?
The IUPAC name of 1-[1-(5-fluoropyrimidin-2-yl)piperidin-2-yl]ethanone (CID 104606098) is 1-[1-(5-fluoropyrimidin-2-yl)piperidin-2-yl]ethanone.
What is the SMILES notation for 1-[1-(5-fluoropyrimidin-2-yl)piperidin-2-yl]ethanone?
The canonical SMILES for 1-[1-(5-fluoropyrimidin-2-yl)piperidin-2-yl]ethanone is CC(=O)C1CCCCN1c1ncc(F)cn1.
What is the InChIKey of 1-[1-(5-fluoropyrimidin-2-yl)piperidin-2-yl]ethanone?
The InChIKey is YDGPXHOYSSVAGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14FN3O/c1-8(16)10-4-2-3-5-15(10)11-13-6-9(12)7-14-11/h6-7,10H,2-5H2,1H3.
What are the key properties of 1-[1-(5-fluoropyrimidin-2-yl)piperidin-2-yl]ethanone?
1-[1-(5-fluoropyrimidin-2-yl)piperidin-2-yl]ethanone has a molecular weight of 223.25 g/mol, XLogP of 1.56, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(5-fluoropyrimidin-2-yl)piperidin-2-yl]ethanone is sourced from PubChem (CID 104606098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).