4-[4-(4-fluorophenyl)piperazine-1-carbonyl]-6-thiophen-2-yl-1H-pyrimidin-2-one

C19H17FN4O2S — CID 110332011

IUPAC4-[4-(4-fluorophenyl)piperazine-1-carbonyl]-6-thiophen-2-yl-1H-pyrimidin-2-one
SMILESO=C(c1cc(-c2cccs2)[nH]c(=O)n1)N1CCN(c2ccc(F)cc2)CC1
InChIInChI=1S/C19H17FN4O2S/c20-13-3-5-14(6-4-13)23-7-9-24(10-8-23)18(25)16-12-15(21-19(26)22-16)17-2-1-11-27-17/h1-6,11-12H,7-10H2,(H,21,22,26)
InChIKeyOBHGGPSOZNDUID-UHFFFAOYSA-N
MW384.44 g/mol
LogP2.60
Rot. Bonds3

About 4-[4-(4-fluorophenyl)piperazine-1-carbonyl]-6-thiophen-2-yl-1H-pyrimidin-2-one

4-[4-(4-fluorophenyl)piperazine-1-carbonyl]-6-thiophen-2-yl-1H-pyrimidin-2-one (PubChem CID 110332011) has the molecular formula C19H17FN4O2S and a molecular weight of 384.44 g/mol. Its IUPAC name is 4-[4-(4-fluorophenyl)piperazine-1-carbonyl]-6-thiophen-2-yl-1H-pyrimidin-2-one.

Molecular Properties

Compound Name4-[4-(4-fluorophenyl)piperazine-1-carbonyl]-6-thiophen-2-yl-1H-pyrimidin-2-one
PubChem CID110332011
Molecular FormulaC19H17FN4O2S
Molecular Weight384.44 g/mol
Exact Mass384.11
IUPAC Name4-[4-(4-fluorophenyl)piperazine-1-carbonyl]-6-thiophen-2-yl-1H-pyrimidin-2-one
SMILESO=C(c1cc(-c2cccs2)[nH]c(=O)n1)N1CCN(c2ccc(F)cc2)CC1
InChIInChI=1S/C19H17FN4O2S/c20-13-3-5-14(6-4-13)23-7-9-24(10-8-23)18(25)16-12-15(21-19(26)22-16)17-2-1-11-27-17/h1-6,11-12H,7-10H2,(H,21,22,26)
InChIKeyOBHGGPSOZNDUID-UHFFFAOYSA-N
XLogP2.60
TPSA69.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.44
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-fluorophenyl)-2-oxo-6-thiophen-2-yl-1H-pyrimidine-4-carboxamide
CID 110332039
[4-(4-fluorophenyl)piperazin-1-yl]-(4-methyl-2-thiophen-2-yl-1,3-thiazol-5-yl)methanone
CID 60599375
3-[4-(4-fluorobenzoyl)piperazine-1-carbonyl]-6-thiophen-2-yl-1H-pyridin-2-one
CID 166200032
[4-(4-fluorophenyl)piperazin-1-yl]-(2-methyl-1,1-dioxo-5-thiophen-2-yl-1,2,6-thiadiazin-3-yl)methanone
CID 17253835
[4-(4-fluorophenyl)piperazin-1-yl]-(6-methyl-2-pyridinyl)methanone
CID 110697414
[4-(2-methylphenyl)piperazin-1-yl]-(5-thiophen-2-yl-1H-pyrazol-3-yl)methanone
CID 46856970
4-[4-(4-fluorophenyl)piperazine-1-carbonyl]-1H-pyrimidin-6-one
CID 137147286
[1-(4-fluorophenyl)-3-thiophen-2-ylpyrazol-5-yl]-pyrrolidin-1-ylmethanone
CID 812780
(2,2-difluoro-6-azaspiro[2.5]octan-6-yl)-(5-thiophen-2-yl-1H-pyrazol-3-yl)methanone
CID 126854198
2-oxo-6-thiophen-2-yl-N-[(E)-thiophen-2-ylmethylideneamino]-1H-pyrimidine-4-carboxamide
CID 110525744
1-[4-(4-fluorophenyl)piperazin-1-yl]-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propan-1-one
CID 8967237
[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]-(5-thiophen-2-yl-1H-pyrazol-3-yl)methanone
CID 55790065

Frequently Asked Questions

What is the IUPAC name of 4-[4-(4-fluorophenyl)piperazine-1-carbonyl]-6-thiophen-2-yl-1H-pyrimidin-2-one?
The IUPAC name of 4-[4-(4-fluorophenyl)piperazine-1-carbonyl]-6-thiophen-2-yl-1H-pyrimidin-2-one (CID 110332011) is 4-[4-(4-fluorophenyl)piperazine-1-carbonyl]-6-thiophen-2-yl-1H-pyrimidin-2-one.
What is the SMILES notation for 4-[4-(4-fluorophenyl)piperazine-1-carbonyl]-6-thiophen-2-yl-1H-pyrimidin-2-one?
The canonical SMILES for 4-[4-(4-fluorophenyl)piperazine-1-carbonyl]-6-thiophen-2-yl-1H-pyrimidin-2-one is O=C(c1cc(-c2cccs2)[nH]c(=O)n1)N1CCN(c2ccc(F)cc2)CC1.
What is the InChIKey of 4-[4-(4-fluorophenyl)piperazine-1-carbonyl]-6-thiophen-2-yl-1H-pyrimidin-2-one?
The InChIKey is OBHGGPSOZNDUID-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17FN4O2S/c20-13-3-5-14(6-4-13)23-7-9-24(10-8-23)18(25)16-12-15(21-19(26)22-16)17-2-1-11-27-17/h1-6,11-12H,7-10H2,(H,21,22,26).
What are the key properties of 4-[4-(4-fluorophenyl)piperazine-1-carbonyl]-6-thiophen-2-yl-1H-pyrimidin-2-one?
4-[4-(4-fluorophenyl)piperazine-1-carbonyl]-6-thiophen-2-yl-1H-pyrimidin-2-one has a molecular weight of 384.44 g/mol, XLogP of 2.60, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(4-fluorophenyl)piperazine-1-carbonyl]-6-thiophen-2-yl-1H-pyrimidin-2-one is sourced from PubChem (CID 110332011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).