4-(4-fluorophenyl)-6-(4-methylpiperidine-1-carbonyl)-1H-pyrimidin-2-one

C17H18FN3O2 — CID 110332217

IUPAC4-(4-fluorophenyl)-6-(4-methylpiperidine-1-carbonyl)-1H-pyrimidin-2-one
SMILESCC1CCN(C(=O)c2cc(-c3ccc(F)cc3)nc(=O)[nH]2)CC1
InChIInChI=1S/C17H18FN3O2/c1-11-6-8-21(9-7-11)16(22)15-10-14(19-17(23)20-15)12-2-4-13(18)5-3-12/h2-5,10-11H,6-9H2,1H3,(H,19,20,23)
InChIKeyIYYKGCDSDNZJHY-UHFFFAOYSA-N
MW315.35 g/mol
LogP2.45
Rot. Bonds2

About 4-(4-fluorophenyl)-6-(4-methylpiperidine-1-carbonyl)-1H-pyrimidin-2-one

4-(4-fluorophenyl)-6-(4-methylpiperidine-1-carbonyl)-1H-pyrimidin-2-one (PubChem CID 110332217) has the molecular formula C17H18FN3O2 and a molecular weight of 315.35 g/mol. Its IUPAC name is 4-(4-fluorophenyl)-6-(4-methylpiperidine-1-carbonyl)-1H-pyrimidin-2-one.

Molecular Properties

Compound Name4-(4-fluorophenyl)-6-(4-methylpiperidine-1-carbonyl)-1H-pyrimidin-2-one
PubChem CID110332217
Molecular FormulaC17H18FN3O2
Molecular Weight315.35 g/mol
Exact Mass315.14
IUPAC Name4-(4-fluorophenyl)-6-(4-methylpiperidine-1-carbonyl)-1H-pyrimidin-2-one
SMILESCC1CCN(C(=O)c2cc(-c3ccc(F)cc3)nc(=O)[nH]2)CC1
InChIInChI=1S/C17H18FN3O2/c1-11-6-8-21(9-7-11)16(22)15-10-14(19-17(23)20-15)12-2-4-13(18)5-3-12/h2-5,10-11H,6-9H2,1H3,(H,19,20,23)
InChIKeyIYYKGCDSDNZJHY-UHFFFAOYSA-N
XLogP2.45
TPSA66.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.35
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(4-fluorophenyl)-6-(4-methylpiperidine-1-carbonyl)-1H-pyrimidin-2-one?
The IUPAC name of 4-(4-fluorophenyl)-6-(4-methylpiperidine-1-carbonyl)-1H-pyrimidin-2-one (CID 110332217) is 4-(4-fluorophenyl)-6-(4-methylpiperidine-1-carbonyl)-1H-pyrimidin-2-one.
What is the SMILES notation for 4-(4-fluorophenyl)-6-(4-methylpiperidine-1-carbonyl)-1H-pyrimidin-2-one?
The canonical SMILES for 4-(4-fluorophenyl)-6-(4-methylpiperidine-1-carbonyl)-1H-pyrimidin-2-one is CC1CCN(C(=O)c2cc(-c3ccc(F)cc3)nc(=O)[nH]2)CC1.
What is the InChIKey of 4-(4-fluorophenyl)-6-(4-methylpiperidine-1-carbonyl)-1H-pyrimidin-2-one?
The InChIKey is IYYKGCDSDNZJHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FN3O2/c1-11-6-8-21(9-7-11)16(22)15-10-14(19-17(23)20-15)12-2-4-13(18)5-3-12/h2-5,10-11H,6-9H2,1H3,(H,19,20,23).
What are the key properties of 4-(4-fluorophenyl)-6-(4-methylpiperidine-1-carbonyl)-1H-pyrimidin-2-one?
4-(4-fluorophenyl)-6-(4-methylpiperidine-1-carbonyl)-1H-pyrimidin-2-one has a molecular weight of 315.35 g/mol, XLogP of 2.45, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluorophenyl)-6-(4-methylpiperidine-1-carbonyl)-1H-pyrimidin-2-one is sourced from PubChem (CID 110332217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).