4-(4-fluoro-3-methylphenyl)-6-(4-methylpiperidine-1-carbonyl)-1H-pyrimidin-2-one

C18H20FN3O2 — CID 110332468

IUPAC4-(4-fluoro-3-methylphenyl)-6-(4-methylpiperidine-1-carbonyl)-1H-pyrimidin-2-one
SMILESCc1cc(-c2cc(C(=O)N3CCC(C)CC3)[nH]c(=O)n2)ccc1F
InChIInChI=1S/C18H20FN3O2/c1-11-5-7-22(8-6-11)17(23)16-10-15(20-18(24)21-16)13-3-4-14(19)12(2)9-13/h3-4,9-11H,5-8H2,1-2H3,(H,20,21,24)
InChIKeyHUOOCWMGTOIURO-UHFFFAOYSA-N
MW329.38 g/mol
LogP2.76
Rot. Bonds2

About 4-(4-fluoro-3-methylphenyl)-6-(4-methylpiperidine-1-carbonyl)-1H-pyrimidin-2-one

4-(4-fluoro-3-methylphenyl)-6-(4-methylpiperidine-1-carbonyl)-1H-pyrimidin-2-one (PubChem CID 110332468) has the molecular formula C18H20FN3O2 and a molecular weight of 329.38 g/mol. Its IUPAC name is 4-(4-fluoro-3-methylphenyl)-6-(4-methylpiperidine-1-carbonyl)-1H-pyrimidin-2-one.

Molecular Properties

Compound Name4-(4-fluoro-3-methylphenyl)-6-(4-methylpiperidine-1-carbonyl)-1H-pyrimidin-2-one
PubChem CID110332468
Molecular FormulaC18H20FN3O2
Molecular Weight329.38 g/mol
Exact Mass329.15
IUPAC Name4-(4-fluoro-3-methylphenyl)-6-(4-methylpiperidine-1-carbonyl)-1H-pyrimidin-2-one
SMILESCc1cc(-c2cc(C(=O)N3CCC(C)CC3)[nH]c(=O)n2)ccc1F
InChIInChI=1S/C18H20FN3O2/c1-11-5-7-22(8-6-11)17(23)16-10-15(20-18(24)21-16)13-3-4-14(19)12(2)9-13/h3-4,9-11H,5-8H2,1-2H3,(H,20,21,24)
InChIKeyHUOOCWMGTOIURO-UHFFFAOYSA-N
XLogP2.76
TPSA66.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.38
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(4-fluoro-3-methylphenyl)-6-(4-methylpiperidine-1-carbonyl)-1H-pyrimidin-2-one?
The IUPAC name of 4-(4-fluoro-3-methylphenyl)-6-(4-methylpiperidine-1-carbonyl)-1H-pyrimidin-2-one (CID 110332468) is 4-(4-fluoro-3-methylphenyl)-6-(4-methylpiperidine-1-carbonyl)-1H-pyrimidin-2-one.
What is the SMILES notation for 4-(4-fluoro-3-methylphenyl)-6-(4-methylpiperidine-1-carbonyl)-1H-pyrimidin-2-one?
The canonical SMILES for 4-(4-fluoro-3-methylphenyl)-6-(4-methylpiperidine-1-carbonyl)-1H-pyrimidin-2-one is Cc1cc(-c2cc(C(=O)N3CCC(C)CC3)[nH]c(=O)n2)ccc1F.
What is the InChIKey of 4-(4-fluoro-3-methylphenyl)-6-(4-methylpiperidine-1-carbonyl)-1H-pyrimidin-2-one?
The InChIKey is HUOOCWMGTOIURO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20FN3O2/c1-11-5-7-22(8-6-11)17(23)16-10-15(20-18(24)21-16)13-3-4-14(19)12(2)9-13/h3-4,9-11H,5-8H2,1-2H3,(H,20,21,24).
What are the key properties of 4-(4-fluoro-3-methylphenyl)-6-(4-methylpiperidine-1-carbonyl)-1H-pyrimidin-2-one?
4-(4-fluoro-3-methylphenyl)-6-(4-methylpiperidine-1-carbonyl)-1H-pyrimidin-2-one has a molecular weight of 329.38 g/mol, XLogP of 2.76, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluoro-3-methylphenyl)-6-(4-methylpiperidine-1-carbonyl)-1H-pyrimidin-2-one is sourced from PubChem (CID 110332468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).