5-fluoro-4-(4-methylpiperidine-1-carbonyl)-1H-pyrimidin-6-one

C11H14FN3O2 — CID 166390904

IUPAC5-fluoro-4-(4-methylpiperidine-1-carbonyl)-1H-pyrimidin-6-one
SMILESCC1CCN(C(=O)c2nc[nH]c(=O)c2F)CC1
InChIInChI=1S/C11H14FN3O2/c1-7-2-4-15(5-3-7)11(17)9-8(12)10(16)14-6-13-9/h6-7H,2-5H2,1H3,(H,13,14,16)
InChIKeyVVDGZEBWKZCCGZ-UHFFFAOYSA-N
MW239.25 g/mol
LogP0.78
Rot. Bonds1

About 5-fluoro-4-(4-methylpiperidine-1-carbonyl)-1H-pyrimidin-6-one

5-fluoro-4-(4-methylpiperidine-1-carbonyl)-1H-pyrimidin-6-one (PubChem CID 166390904) has the molecular formula C11H14FN3O2 and a molecular weight of 239.25 g/mol. Its IUPAC name is 5-fluoro-4-(4-methylpiperidine-1-carbonyl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-fluoro-4-(4-methylpiperidine-1-carbonyl)-1H-pyrimidin-6-one
PubChem CID166390904
Molecular FormulaC11H14FN3O2
Molecular Weight239.25 g/mol
Exact Mass239.11
IUPAC Name5-fluoro-4-(4-methylpiperidine-1-carbonyl)-1H-pyrimidin-6-one
SMILESCC1CCN(C(=O)c2nc[nH]c(=O)c2F)CC1
InChIInChI=1S/C11H14FN3O2/c1-7-2-4-15(5-3-7)11(17)9-8(12)10(16)14-6-13-9/h6-7H,2-5H2,1H3,(H,13,14,16)
InChIKeyVVDGZEBWKZCCGZ-UHFFFAOYSA-N
XLogP0.78
TPSA66.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.25
LogP ≤ 50.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-4-(4-methylpiperidine-1-carbonyl)-1H-pyrimidin-6-one?
The IUPAC name of 5-fluoro-4-(4-methylpiperidine-1-carbonyl)-1H-pyrimidin-6-one (CID 166390904) is 5-fluoro-4-(4-methylpiperidine-1-carbonyl)-1H-pyrimidin-6-one.
What is the SMILES notation for 5-fluoro-4-(4-methylpiperidine-1-carbonyl)-1H-pyrimidin-6-one?
The canonical SMILES for 5-fluoro-4-(4-methylpiperidine-1-carbonyl)-1H-pyrimidin-6-one is CC1CCN(C(=O)c2nc[nH]c(=O)c2F)CC1.
What is the InChIKey of 5-fluoro-4-(4-methylpiperidine-1-carbonyl)-1H-pyrimidin-6-one?
The InChIKey is VVDGZEBWKZCCGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14FN3O2/c1-7-2-4-15(5-3-7)11(17)9-8(12)10(16)14-6-13-9/h6-7H,2-5H2,1H3,(H,13,14,16).
What are the key properties of 5-fluoro-4-(4-methylpiperidine-1-carbonyl)-1H-pyrimidin-6-one?
5-fluoro-4-(4-methylpiperidine-1-carbonyl)-1H-pyrimidin-6-one has a molecular weight of 239.25 g/mol, XLogP of 0.78, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-4-(4-methylpiperidine-1-carbonyl)-1H-pyrimidin-6-one is sourced from PubChem (CID 166390904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).