1-[1-(5-fluoropyrimidin-2-yl)piperidin-3-yl]ethanone

C11H14FN3O — CID 104606096

IUPAC1-[1-(5-fluoropyrimidin-2-yl)piperidin-3-yl]ethanone
SMILESCC(=O)C1CCCN(c2ncc(F)cn2)C1
InChIInChI=1S/C11H14FN3O/c1-8(16)9-3-2-4-15(7-9)11-13-5-10(12)6-14-11/h5-6,9H,2-4,7H2,1H3
InChIKeyKYDXVTBVWOAJCL-UHFFFAOYSA-N
MW223.25 g/mol
LogP1.42
Rot. Bonds2

About 1-[1-(5-fluoropyrimidin-2-yl)piperidin-3-yl]ethanone

1-[1-(5-fluoropyrimidin-2-yl)piperidin-3-yl]ethanone (PubChem CID 104606096) 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-3-yl]ethanone.

Molecular Properties

Compound Name1-[1-(5-fluoropyrimidin-2-yl)piperidin-3-yl]ethanone
PubChem CID104606096
Molecular FormulaC11H14FN3O
Molecular Weight223.25 g/mol
Exact Mass223.11
IUPAC Name1-[1-(5-fluoropyrimidin-2-yl)piperidin-3-yl]ethanone
SMILESCC(=O)C1CCCN(c2ncc(F)cn2)C1
InChIInChI=1S/C11H14FN3O/c1-8(16)9-3-2-4-15(7-9)11-13-5-10(12)6-14-11/h5-6,9H,2-4,7H2,1H3
InChIKeyKYDXVTBVWOAJCL-UHFFFAOYSA-N
XLogP1.42
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 ≤ 51.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(5-fluoropyrimidin-2-yl)piperidin-3-yl]-2,2-dimethylpropanamide
CID 163357522
4-chloro-1-(5-fluoropyrimidin-2-yl)azepane
CID 130671020
5-fluoro-2-pyrrolidin-1-ylpyrimidine
CID 91819592
5-fluoro-2-(3-methoxypiperidin-1-yl)pyrimidine
CID 134532206
3-[1-(5-fluoropyrimidin-2-yl)piperidin-3-yl]propanoic acid
CID 104605891
1-(5-aminopyrimidin-2-yl)piperidine-3-carboxamide
CID 61146740
1-(5-cyclobutylpyrimidin-2-yl)piperidine-3-carboxylic acid
CID 116976080
1-[1-(5-chloro-2-pyridinyl)piperidin-3-yl]ethanone
CID 63844432
S-[(3S)-1-(5-fluoropyrimidin-2-yl)piperidin-3-yl]thiohydroxylamine
CID 134532144
2-(3-chloropyrrolidin-1-yl)-5-fluoropyrimidine
CID 104606673
1-pyrimidin-2-ylpiperidine-3-carboxylic acid;hydrochloride
CID 45075103
N-[1-(5-fluoropyrimidin-2-yl)piperidin-3-yl]-1-methylpyrazole-3-carboxamide
CID 171993462

Frequently Asked Questions

What is the IUPAC name of 1-[1-(5-fluoropyrimidin-2-yl)piperidin-3-yl]ethanone?
The IUPAC name of 1-[1-(5-fluoropyrimidin-2-yl)piperidin-3-yl]ethanone (CID 104606096) is 1-[1-(5-fluoropyrimidin-2-yl)piperidin-3-yl]ethanone.
What is the SMILES notation for 1-[1-(5-fluoropyrimidin-2-yl)piperidin-3-yl]ethanone?
The canonical SMILES for 1-[1-(5-fluoropyrimidin-2-yl)piperidin-3-yl]ethanone is CC(=O)C1CCCN(c2ncc(F)cn2)C1.
What is the InChIKey of 1-[1-(5-fluoropyrimidin-2-yl)piperidin-3-yl]ethanone?
The InChIKey is KYDXVTBVWOAJCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14FN3O/c1-8(16)9-3-2-4-15(7-9)11-13-5-10(12)6-14-11/h5-6,9H,2-4,7H2,1H3.
What are the key properties of 1-[1-(5-fluoropyrimidin-2-yl)piperidin-3-yl]ethanone?
1-[1-(5-fluoropyrimidin-2-yl)piperidin-3-yl]ethanone has a molecular weight of 223.25 g/mol, XLogP of 1.42, 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-3-yl]ethanone is sourced from PubChem (CID 104606096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).