5-fluoro-2-[4-(oxane-4-carbonyl)piperazin-1-yl]-4-propan-2-yl-1H-pyrimidin-6-one

C17H25FN4O3 — CID 154830598

IUPAC5-fluoro-2-[4-(oxane-4-carbonyl)piperazin-1-yl]-4-propan-2-yl-1H-pyrimidin-6-one
SMILESCC(C)c1nc(N2CCN(C(=O)C3CCOCC3)CC2)[nH]c(=O)c1F
InChIInChI=1S/C17H25FN4O3/c1-11(2)14-13(18)15(23)20-17(19-14)22-7-5-21(6-8-22)16(24)12-3-9-25-10-4-12/h11-12H,3-10H2,1-2H3,(H,19,20,23)
InChIKeyAEGROZJMVJFSNE-UHFFFAOYSA-N
MW352.41 g/mol
LogP1.11
Rot. Bonds3

About 5-fluoro-2-[4-(oxane-4-carbonyl)piperazin-1-yl]-4-propan-2-yl-1H-pyrimidin-6-one

5-fluoro-2-[4-(oxane-4-carbonyl)piperazin-1-yl]-4-propan-2-yl-1H-pyrimidin-6-one (PubChem CID 154830598) has the molecular formula C17H25FN4O3 and a molecular weight of 352.41 g/mol. Its IUPAC name is 5-fluoro-2-[4-(oxane-4-carbonyl)piperazin-1-yl]-4-propan-2-yl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-fluoro-2-[4-(oxane-4-carbonyl)piperazin-1-yl]-4-propan-2-yl-1H-pyrimidin-6-one
PubChem CID154830598
Molecular FormulaC17H25FN4O3
Molecular Weight352.41 g/mol
Exact Mass352.19
IUPAC Name5-fluoro-2-[4-(oxane-4-carbonyl)piperazin-1-yl]-4-propan-2-yl-1H-pyrimidin-6-one
SMILESCC(C)c1nc(N2CCN(C(=O)C3CCOCC3)CC2)[nH]c(=O)c1F
InChIInChI=1S/C17H25FN4O3/c1-11(2)14-13(18)15(23)20-17(19-14)22-7-5-21(6-8-22)16(24)12-3-9-25-10-4-12/h11-12H,3-10H2,1-2H3,(H,19,20,23)
InChIKeyAEGROZJMVJFSNE-UHFFFAOYSA-N
XLogP1.11
TPSA78.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.41
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5-fluoro-2-[4-(oxane-4-carbonyl)piperazin-1-yl]-4-propan-2-yl-1H-pyrimidin-6-one with MolForge

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Related Compounds

5-fluoro-2-[4-(1-methylpiperidine-3-carbonyl)piperazin-1-yl]-4-phenyl-1H-pyrimidin-6-one
CID 154830682
[1-(oxane-4-carbonyl)piperidin-4-yl]-(4-propan-2-ylpiperidin-1-yl)methanone
CID 155764611
[4-(2-methylpropyl)piperazin-1-yl]-(oxan-4-yl)methanone
CID 113072893
oxan-4-yl-(4-phenylpiperazin-1-yl)methanone
CID 78802039
oxan-4-yl-[4-(6-pyrrolidin-1-ylpyridazin-3-yl)piperazin-1-yl]methanone
CID 122334392
[4-(1-hydroxyethyl)piperidin-1-yl]-(oxan-4-yl)methanone
CID 112537685
2-[4-(cyclopropanecarbonyl)-1,4-diazepan-1-yl]-3H-quinazolin-4-one
CID 137267488
2-[5-(cyclopentanecarbonyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]-4-ethyl-5-fluoro-1H-pyrimidin-6-one
CID 155798253
(4-methylpiperidin-1-yl)-(oxan-4-yl)methanone
CID 78803278
[4-(4-aminophenyl)piperazin-1-yl]-(oxan-4-yl)methanone
CID 62905278
[4-(4-methyl-1,3-thiazol-2-yl)-1,4-diazepan-1-yl]-(oxan-4-yl)methanone
CID 25268514
oxan-4-yl-[4-(6-piperidin-1-ylpyrimidin-4-yl)piperazin-1-yl]methanone
CID 122343062

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-[4-(oxane-4-carbonyl)piperazin-1-yl]-4-propan-2-yl-1H-pyrimidin-6-one?
The IUPAC name of 5-fluoro-2-[4-(oxane-4-carbonyl)piperazin-1-yl]-4-propan-2-yl-1H-pyrimidin-6-one (CID 154830598) is 5-fluoro-2-[4-(oxane-4-carbonyl)piperazin-1-yl]-4-propan-2-yl-1H-pyrimidin-6-one.
What is the SMILES notation for 5-fluoro-2-[4-(oxane-4-carbonyl)piperazin-1-yl]-4-propan-2-yl-1H-pyrimidin-6-one?
The canonical SMILES for 5-fluoro-2-[4-(oxane-4-carbonyl)piperazin-1-yl]-4-propan-2-yl-1H-pyrimidin-6-one is CC(C)c1nc(N2CCN(C(=O)C3CCOCC3)CC2)[nH]c(=O)c1F.
What is the InChIKey of 5-fluoro-2-[4-(oxane-4-carbonyl)piperazin-1-yl]-4-propan-2-yl-1H-pyrimidin-6-one?
The InChIKey is AEGROZJMVJFSNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25FN4O3/c1-11(2)14-13(18)15(23)20-17(19-14)22-7-5-21(6-8-22)16(24)12-3-9-25-10-4-12/h11-12H,3-10H2,1-2H3,(H,19,20,23).
What are the key properties of 5-fluoro-2-[4-(oxane-4-carbonyl)piperazin-1-yl]-4-propan-2-yl-1H-pyrimidin-6-one?
5-fluoro-2-[4-(oxane-4-carbonyl)piperazin-1-yl]-4-propan-2-yl-1H-pyrimidin-6-one has a molecular weight of 352.41 g/mol, XLogP of 1.11, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-[4-(oxane-4-carbonyl)piperazin-1-yl]-4-propan-2-yl-1H-pyrimidin-6-one is sourced from PubChem (CID 154830598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).