4-[4-(4-fluorophenyl)piperazine-1-carbonyl]-1H-pyrimidin-6-one

C15H15FN4O2 — CID 137147286

IUPAC4-[4-(4-fluorophenyl)piperazine-1-carbonyl]-1H-pyrimidin-6-one
SMILESO=C(c1cc(=O)[nH]cn1)N1CCN(c2ccc(F)cc2)CC1
InChIInChI=1S/C15H15FN4O2/c16-11-1-3-12(4-2-11)19-5-7-20(8-6-19)15(22)13-9-14(21)18-10-17-13/h1-4,9-10H,5-8H2,(H,17,18,21)
InChIKeyUTCMRUOWNAJXCR-UHFFFAOYSA-N
MW302.31 g/mol
LogP0.87
Rot. Bonds2

About 4-[4-(4-fluorophenyl)piperazine-1-carbonyl]-1H-pyrimidin-6-one

4-[4-(4-fluorophenyl)piperazine-1-carbonyl]-1H-pyrimidin-6-one (PubChem CID 137147286) has the molecular formula C15H15FN4O2 and a molecular weight of 302.31 g/mol. Its IUPAC name is 4-[4-(4-fluorophenyl)piperazine-1-carbonyl]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-[4-(4-fluorophenyl)piperazine-1-carbonyl]-1H-pyrimidin-6-one
PubChem CID137147286
Molecular FormulaC15H15FN4O2
Molecular Weight302.31 g/mol
Exact Mass302.12
IUPAC Name4-[4-(4-fluorophenyl)piperazine-1-carbonyl]-1H-pyrimidin-6-one
SMILESO=C(c1cc(=O)[nH]cn1)N1CCN(c2ccc(F)cc2)CC1
InChIInChI=1S/C15H15FN4O2/c16-11-1-3-12(4-2-11)19-5-7-20(8-6-19)15(22)13-9-14(21)18-10-17-13/h1-4,9-10H,5-8H2,(H,17,18,21)
InChIKeyUTCMRUOWNAJXCR-UHFFFAOYSA-N
XLogP0.87
TPSA69.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.31
LogP ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[4-(3-chloro-4-fluorophenyl)piperazine-1-carbonyl]-1H-pyrimidin-6-one
CID 137147360
4-[4-(4-methoxyphenyl)piperazine-1-carbonyl]-1H-pyrimidin-6-one
CID 137147289
4-(pyrrolidine-1-carbonyl)-1H-pyrimidin-6-one
CID 137147273
[4-[4-(4-fluorophenyl)piperazin-1-yl]-2-pyridinyl]-piperidin-1-ylmethanone
CID 109204404
4-[4-(5-chloro-2-methylphenyl)piperazine-1-carbonyl]-1H-pyrimidin-6-one
CID 137147424
4-(4-methylsulfonylpiperazine-1-carbonyl)-1H-pyrimidin-6-one
CID 137147367
[5-(4-fluorophenyl)-1-methylpyrazol-3-yl]-[4-(4-fluorophenyl)piperazin-1-yl]methanone
CID 110299520
azepan-1-yl-[6-[4-(4-fluorophenyl)piperazin-1-yl]pyrimidin-4-yl]methanone
CID 109352160
[5-(4-fluoroanilino)-2-pyridinyl]-[4-(4-fluorophenyl)piperazin-1-yl]methanone
CID 109193490
(5,6-dichloro-3-pyridinyl)-[4-(4-fluorophenyl)piperazin-1-yl]methanone
CID 46798589
[4-(4-fluorophenyl)piperazin-1-yl]-(6-methyl-2-pyridinyl)methanone
CID 110697414
2-[4-(4-fluorophenyl)piperazine-1-carbonyl]-5-methyl-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one
CID 146046332

Frequently Asked Questions

What is the IUPAC name of 4-[4-(4-fluorophenyl)piperazine-1-carbonyl]-1H-pyrimidin-6-one?
The IUPAC name of 4-[4-(4-fluorophenyl)piperazine-1-carbonyl]-1H-pyrimidin-6-one (CID 137147286) is 4-[4-(4-fluorophenyl)piperazine-1-carbonyl]-1H-pyrimidin-6-one.
What is the SMILES notation for 4-[4-(4-fluorophenyl)piperazine-1-carbonyl]-1H-pyrimidin-6-one?
The canonical SMILES for 4-[4-(4-fluorophenyl)piperazine-1-carbonyl]-1H-pyrimidin-6-one is O=C(c1cc(=O)[nH]cn1)N1CCN(c2ccc(F)cc2)CC1.
What is the InChIKey of 4-[4-(4-fluorophenyl)piperazine-1-carbonyl]-1H-pyrimidin-6-one?
The InChIKey is UTCMRUOWNAJXCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15FN4O2/c16-11-1-3-12(4-2-11)19-5-7-20(8-6-19)15(22)13-9-14(21)18-10-17-13/h1-4,9-10H,5-8H2,(H,17,18,21).
What are the key properties of 4-[4-(4-fluorophenyl)piperazine-1-carbonyl]-1H-pyrimidin-6-one?
4-[4-(4-fluorophenyl)piperazine-1-carbonyl]-1H-pyrimidin-6-one has a molecular weight of 302.31 g/mol, XLogP of 0.87, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(4-fluorophenyl)piperazine-1-carbonyl]-1H-pyrimidin-6-one is sourced from PubChem (CID 137147286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).