6-(4-fluorophenyl)-3-(2-piperidin-1-ylethyl)pyrimidin-4-one

C17H20FN3O — CID 30462951

IUPAC6-(4-fluorophenyl)-3-(2-piperidin-1-ylethyl)pyrimidin-4-one
SMILESO=c1cc(-c2ccc(F)cc2)ncn1CCN1CCCCC1
InChIInChI=1S/C17H20FN3O/c18-15-6-4-14(5-7-15)16-12-17(22)21(13-19-16)11-10-20-8-2-1-3-9-20/h4-7,12-13H,1-3,8-11H2
InChIKeyMHQHAIBCTMGEKQ-UHFFFAOYSA-N
MW301.37 g/mol
LogP2.54
Rot. Bonds4

About 6-(4-fluorophenyl)-3-(2-piperidin-1-ylethyl)pyrimidin-4-one

6-(4-fluorophenyl)-3-(2-piperidin-1-ylethyl)pyrimidin-4-one (PubChem CID 30462951) has the molecular formula C17H20FN3O and a molecular weight of 301.37 g/mol. Its IUPAC name is 6-(4-fluorophenyl)-3-(2-piperidin-1-ylethyl)pyrimidin-4-one.

Molecular Properties

Compound Name6-(4-fluorophenyl)-3-(2-piperidin-1-ylethyl)pyrimidin-4-one
PubChem CID30462951
Molecular FormulaC17H20FN3O
Molecular Weight301.37 g/mol
Exact Mass301.16
IUPAC Name6-(4-fluorophenyl)-3-(2-piperidin-1-ylethyl)pyrimidin-4-one
SMILESO=c1cc(-c2ccc(F)cc2)ncn1CCN1CCCCC1
InChIInChI=1S/C17H20FN3O/c18-15-6-4-14(5-7-15)16-12-17(22)21(13-19-16)11-10-20-8-2-1-3-9-20/h4-7,12-13H,1-3,8-11H2
InChIKeyMHQHAIBCTMGEKQ-UHFFFAOYSA-N
XLogP2.54
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.37
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(4-fluorophenyl)-3-(2-piperidin-1-ylethyl)pyrimidin-4-one?
The IUPAC name of 6-(4-fluorophenyl)-3-(2-piperidin-1-ylethyl)pyrimidin-4-one (CID 30462951) is 6-(4-fluorophenyl)-3-(2-piperidin-1-ylethyl)pyrimidin-4-one.
What is the SMILES notation for 6-(4-fluorophenyl)-3-(2-piperidin-1-ylethyl)pyrimidin-4-one?
The canonical SMILES for 6-(4-fluorophenyl)-3-(2-piperidin-1-ylethyl)pyrimidin-4-one is O=c1cc(-c2ccc(F)cc2)ncn1CCN1CCCCC1.
What is the InChIKey of 6-(4-fluorophenyl)-3-(2-piperidin-1-ylethyl)pyrimidin-4-one?
The InChIKey is MHQHAIBCTMGEKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FN3O/c18-15-6-4-14(5-7-15)16-12-17(22)21(13-19-16)11-10-20-8-2-1-3-9-20/h4-7,12-13H,1-3,8-11H2.
What are the key properties of 6-(4-fluorophenyl)-3-(2-piperidin-1-ylethyl)pyrimidin-4-one?
6-(4-fluorophenyl)-3-(2-piperidin-1-ylethyl)pyrimidin-4-one has a molecular weight of 301.37 g/mol, XLogP of 2.54, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-fluorophenyl)-3-(2-piperidin-1-ylethyl)pyrimidin-4-one is sourced from PubChem (CID 30462951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).