1-(5-fluoropyrimidin-2-yl)piperidin-3-one

C9H10FN3O — CID 104606101

IUPAC1-(5-fluoropyrimidin-2-yl)piperidin-3-one
SMILESO=C1CCCN(c2ncc(F)cn2)C1
InChIInChI=1S/C9H10FN3O/c10-7-4-11-9(12-5-7)13-3-1-2-8(14)6-13/h4-5H,1-3,6H2
InChIKeyMSRAIWUYUSIMFE-UHFFFAOYSA-N
MW195.20 g/mol
LogP0.79
Rot. Bonds1

About 1-(5-fluoropyrimidin-2-yl)piperidin-3-one

1-(5-fluoropyrimidin-2-yl)piperidin-3-one (PubChem CID 104606101) has the molecular formula C9H10FN3O and a molecular weight of 195.20 g/mol. Its IUPAC name is 1-(5-fluoropyrimidin-2-yl)piperidin-3-one.

Molecular Properties

Compound Name1-(5-fluoropyrimidin-2-yl)piperidin-3-one
PubChem CID104606101
Molecular FormulaC9H10FN3O
Molecular Weight195.20 g/mol
Exact Mass195.08
IUPAC Name1-(5-fluoropyrimidin-2-yl)piperidin-3-one
SMILESO=C1CCCN(c2ncc(F)cn2)C1
InChIInChI=1S/C9H10FN3O/c10-7-4-11-9(12-5-7)13-3-1-2-8(14)6-13/h4-5H,1-3,6H2
InChIKeyMSRAIWUYUSIMFE-UHFFFAOYSA-N
XLogP0.79
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.20
LogP ≤ 50.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-(5-fluoropyrimidin-2-yl)piperidin-3-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(2-Pyrimidinyl)tetrahydro-4(1H)-pyridinone
CID 1478856
1-[[1-(5-Fluoropyrimidin-2-yl)piperidin-4-yl]methyl]pyrrolidin-2-one
CID 14554099
4-(5-Fluoro-2-pyrimidinyl)-1-piperazinebutanal
CID 15729899
1-(5-Fluoropyrimidin-2-yl)piperidine-4-carboxylic acid
CID 60137806
1-(5-Fluoropyrimidin-2-yl)piperidin-4-ol
CID 60137812
5-Fluoro-2-[(1-methylpiperidin-4-yl)oxy]pyrimidine
CID 68028333
O-[1-(5-fluoropyrimidin-2-yl)piperidin-4-yl]hydroxylamine
CID 68281168
1-(5-Fluoro-2-pyrimidinyl)-4-piperidinecarbaldehyde
CID 86638747
4,5-Difluoro-2-piperidin-1-ylpyrimidine
CID 89924236
1-[1-(5-Fluoropyrimidin-2-yl)piperidin-4-yl]ethanone
CID 104606097
Methyl 1-(5-fluoropyrimidin-2-yl)piperidine-4-carboxylate
CID 112703074
5-Fluoro-2-(4-methoxypiperidin-1-yl)pyrimidine
CID 122160430

Frequently Asked Questions

What is the IUPAC name of 1-(5-fluoropyrimidin-2-yl)piperidin-3-one?
The IUPAC name of 1-(5-fluoropyrimidin-2-yl)piperidin-3-one (CID 104606101) is 1-(5-fluoropyrimidin-2-yl)piperidin-3-one.
What is the SMILES notation for 1-(5-fluoropyrimidin-2-yl)piperidin-3-one?
The canonical SMILES for 1-(5-fluoropyrimidin-2-yl)piperidin-3-one is O=C1CCCN(c2ncc(F)cn2)C1.
What is the InChIKey of 1-(5-fluoropyrimidin-2-yl)piperidin-3-one?
The InChIKey is MSRAIWUYUSIMFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10FN3O/c10-7-4-11-9(12-5-7)13-3-1-2-8(14)6-13/h4-5H,1-3,6H2.
What are the key properties of 1-(5-fluoropyrimidin-2-yl)piperidin-3-one?
1-(5-fluoropyrimidin-2-yl)piperidin-3-one has a molecular weight of 195.20 g/mol, XLogP of 0.79, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-fluoropyrimidin-2-yl)piperidin-3-one is sourced from PubChem (CID 104606101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).