6-[2-(4-fluorophenyl)-3-oxopiperazine-1-carbonyl]-1,3-dimethylpyrimidine-2,4-dione

C17H17FN4O4 — CID 72885693

IUPAC6-[2-(4-fluorophenyl)-3-oxopiperazine-1-carbonyl]-1,3-dimethylpyrimidine-2,4-dione
SMILESCn1c(C(=O)N2CCNC(=O)C2c2ccc(F)cc2)cc(=O)n(C)c1=O
InChIInChI=1S/C17H17FN4O4/c1-20-12(9-13(23)21(2)17(20)26)16(25)22-8-7-19-15(24)14(22)10-3-5-11(18)6-4-10/h3-6,9,14H,7-8H2,1-2H3,(H,19,24)
InChIKeyVOJFUXAEPHAQEI-UHFFFAOYSA-N
MW360.35 g/mol
LogP-0.46
Rot. Bonds2

About 6-[2-(4-fluorophenyl)-3-oxopiperazine-1-carbonyl]-1,3-dimethylpyrimidine-2,4-dione

6-[2-(4-fluorophenyl)-3-oxopiperazine-1-carbonyl]-1,3-dimethylpyrimidine-2,4-dione (PubChem CID 72885693) has the molecular formula C17H17FN4O4 and a molecular weight of 360.35 g/mol. Its IUPAC name is 6-[2-(4-fluorophenyl)-3-oxopiperazine-1-carbonyl]-1,3-dimethylpyrimidine-2,4-dione.

Molecular Properties

Compound Name6-[2-(4-fluorophenyl)-3-oxopiperazine-1-carbonyl]-1,3-dimethylpyrimidine-2,4-dione
PubChem CID72885693
Molecular FormulaC17H17FN4O4
Molecular Weight360.35 g/mol
Exact Mass360.12
IUPAC Name6-[2-(4-fluorophenyl)-3-oxopiperazine-1-carbonyl]-1,3-dimethylpyrimidine-2,4-dione
SMILESCn1c(C(=O)N2CCNC(=O)C2c2ccc(F)cc2)cc(=O)n(C)c1=O
InChIInChI=1S/C17H17FN4O4/c1-20-12(9-13(23)21(2)17(20)26)16(25)22-8-7-19-15(24)14(22)10-3-5-11(18)6-4-10/h3-6,9,14H,7-8H2,1-2H3,(H,19,24)
InChIKeyVOJFUXAEPHAQEI-UHFFFAOYSA-N
XLogP-0.46
TPSA93.41 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.35
LogP ≤ 5-0.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(3S)-4-(5-fluoro-1,3-dimethylindole-2-carbonyl)-3-(4-fluorophenyl)piperazin-2-one
CID 99948880
4-(2,2-dimethylpropanoyl)-3-(4-fluorophenyl)piperazin-2-one
CID 110428483
4-(2-fluorobenzoyl)-3-(4-fluorophenyl)piperazin-2-one
CID 110428490
4-(4-bromobenzoyl)-3-(4-fluorophenyl)piperazin-2-one
CID 110428493
3-(4-fluorophenyl)-4-(3-phenyltriazole-4-carbonyl)piperazin-2-one
CID 50951502
N-[4-[2-(4-fluorophenyl)-3-oxopiperazine-1-carbonyl]phenyl]acetamide
CID 110669940
3-[2-(4-fluorophenyl)-3-oxopiperazine-1-carbonyl]-4,5-dihydro-1H-pyridazin-6-one
CID 110669931
N-[3-[2-(4-fluorophenyl)-3-oxopiperazine-1-carbonyl]phenyl]acetamide
CID 110669936
3-[2-(4-fluorophenyl)-3-oxopiperazine-1-carbonyl]-1H-pyridazin-6-one
CID 110669930
3-(4-fluorophenyl)-4-(4-pyrrol-1-ylbenzoyl)piperazin-2-one
CID 110425971
methyl 4-[2-(4-fluorophenyl)-3-oxopiperazin-1-yl]-4-oxobutanoate
CID 110669941
4-[2-(4-fluorophenyl)acetyl]-3-(4-methylphenyl)piperazin-2-one
CID 110420024

Frequently Asked Questions

What is the IUPAC name of 6-[2-(4-fluorophenyl)-3-oxopiperazine-1-carbonyl]-1,3-dimethylpyrimidine-2,4-dione?
The IUPAC name of 6-[2-(4-fluorophenyl)-3-oxopiperazine-1-carbonyl]-1,3-dimethylpyrimidine-2,4-dione (CID 72885693) is 6-[2-(4-fluorophenyl)-3-oxopiperazine-1-carbonyl]-1,3-dimethylpyrimidine-2,4-dione.
What is the SMILES notation for 6-[2-(4-fluorophenyl)-3-oxopiperazine-1-carbonyl]-1,3-dimethylpyrimidine-2,4-dione?
The canonical SMILES for 6-[2-(4-fluorophenyl)-3-oxopiperazine-1-carbonyl]-1,3-dimethylpyrimidine-2,4-dione is Cn1c(C(=O)N2CCNC(=O)C2c2ccc(F)cc2)cc(=O)n(C)c1=O.
What is the InChIKey of 6-[2-(4-fluorophenyl)-3-oxopiperazine-1-carbonyl]-1,3-dimethylpyrimidine-2,4-dione?
The InChIKey is VOJFUXAEPHAQEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17FN4O4/c1-20-12(9-13(23)21(2)17(20)26)16(25)22-8-7-19-15(24)14(22)10-3-5-11(18)6-4-10/h3-6,9,14H,7-8H2,1-2H3,(H,19,24).
What are the key properties of 6-[2-(4-fluorophenyl)-3-oxopiperazine-1-carbonyl]-1,3-dimethylpyrimidine-2,4-dione?
6-[2-(4-fluorophenyl)-3-oxopiperazine-1-carbonyl]-1,3-dimethylpyrimidine-2,4-dione has a molecular weight of 360.35 g/mol, XLogP of -0.46, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(4-fluorophenyl)-3-oxopiperazine-1-carbonyl]-1,3-dimethylpyrimidine-2,4-dione is sourced from PubChem (CID 72885693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).