4-[4-(3-chloro-4-fluorophenyl)piperazine-1-carbonyl]-1H-pyrimidin-6-one

C15H14ClFN4O2 — CID 137147360

IUPAC4-[4-(3-chloro-4-fluorophenyl)piperazine-1-carbonyl]-1H-pyrimidin-6-one
SMILESO=C(c1cc(=O)[nH]cn1)N1CCN(c2ccc(F)c(Cl)c2)CC1
InChIInChI=1S/C15H14ClFN4O2/c16-11-7-10(1-2-12(11)17)20-3-5-21(6-4-20)15(23)13-8-14(22)19-9-18-13/h1-2,7-9H,3-6H2,(H,18,19,22)
InChIKeyAZPFVPBCMUYJGS-UHFFFAOYSA-N
MW336.75 g/mol
LogP1.52
Rot. Bonds2

About 4-[4-(3-chloro-4-fluorophenyl)piperazine-1-carbonyl]-1H-pyrimidin-6-one

4-[4-(3-chloro-4-fluorophenyl)piperazine-1-carbonyl]-1H-pyrimidin-6-one (PubChem CID 137147360) has the molecular formula C15H14ClFN4O2 and a molecular weight of 336.75 g/mol. Its IUPAC name is 4-[4-(3-chloro-4-fluorophenyl)piperazine-1-carbonyl]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-[4-(3-chloro-4-fluorophenyl)piperazine-1-carbonyl]-1H-pyrimidin-6-one
PubChem CID137147360
Molecular FormulaC15H14ClFN4O2
Molecular Weight336.75 g/mol
Exact Mass336.08
IUPAC Name4-[4-(3-chloro-4-fluorophenyl)piperazine-1-carbonyl]-1H-pyrimidin-6-one
SMILESO=C(c1cc(=O)[nH]cn1)N1CCN(c2ccc(F)c(Cl)c2)CC1
InChIInChI=1S/C15H14ClFN4O2/c16-11-7-10(1-2-12(11)17)20-3-5-21(6-4-20)15(23)13-8-14(22)19-9-18-13/h1-2,7-9H,3-6H2,(H,18,19,22)
InChIKeyAZPFVPBCMUYJGS-UHFFFAOYSA-N
XLogP1.52
TPSA69.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.75
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-[4-(3-chloro-4-fluorophenyl)piperazine-1-carbonyl]-1H-pyrimidin-6-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[4-(4-fluorophenyl)piperazine-1-carbonyl]-1H-pyrimidin-6-one
CID 137147286
4-[4-(4-methoxyphenyl)piperazine-1-carbonyl]-1H-pyrimidin-6-one
CID 137147289
4-[4-(5-chloro-2-methylphenyl)piperazine-1-carbonyl]-1H-pyrimidin-6-one
CID 137147424
5-[4-(3-chloro-4-fluorophenyl)piperazine-1-carbonyl]-3-methyl-1H-pyrimidine-2,4-dione
CID 71778354
4-(pyrrolidine-1-carbonyl)-1H-pyrimidin-6-one
CID 137147273
[4-(3-chloro-4-fluorophenyl)piperazin-1-yl]-(6-phenylmethoxypyrimidin-4-yl)methanone
CID 121167892
3-[4-(3-chloro-4-fluorophenyl)piperazine-1-carbonyl]-1,4,6-trimethylpyridin-2-one
CID 77092812
[4-(3-chloro-4-fluorophenyl)piperazin-1-yl]-thiophen-2-ylmethanone
CID 113076911
[4-(3-chloro-4-fluorophenyl)piperazin-1-yl]-(3,4-dimethoxyphenyl)methanone
CID 113076928
[4-(3-chloro-4-fluorophenyl)piperazin-1-yl]-[6-(2-methylimidazol-1-yl)pyridazin-3-yl]methanone
CID 121114387
[4-(3,4-dichlorophenyl)piperazin-1-yl]-(4-fluorophenyl)methanone
CID 17217210
6-[4-(3-chloro-4-fluorophenyl)piperazine-1-carbonyl]-2-[(3-fluorophenyl)methyl]pyridazin-3-one
CID 42161951

Frequently Asked Questions

What is the IUPAC name of 4-[4-(3-chloro-4-fluorophenyl)piperazine-1-carbonyl]-1H-pyrimidin-6-one?
The IUPAC name of 4-[4-(3-chloro-4-fluorophenyl)piperazine-1-carbonyl]-1H-pyrimidin-6-one (CID 137147360) is 4-[4-(3-chloro-4-fluorophenyl)piperazine-1-carbonyl]-1H-pyrimidin-6-one.
What is the SMILES notation for 4-[4-(3-chloro-4-fluorophenyl)piperazine-1-carbonyl]-1H-pyrimidin-6-one?
The canonical SMILES for 4-[4-(3-chloro-4-fluorophenyl)piperazine-1-carbonyl]-1H-pyrimidin-6-one is O=C(c1cc(=O)[nH]cn1)N1CCN(c2ccc(F)c(Cl)c2)CC1.
What is the InChIKey of 4-[4-(3-chloro-4-fluorophenyl)piperazine-1-carbonyl]-1H-pyrimidin-6-one?
The InChIKey is AZPFVPBCMUYJGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClFN4O2/c16-11-7-10(1-2-12(11)17)20-3-5-21(6-4-20)15(23)13-8-14(22)19-9-18-13/h1-2,7-9H,3-6H2,(H,18,19,22).
What are the key properties of 4-[4-(3-chloro-4-fluorophenyl)piperazine-1-carbonyl]-1H-pyrimidin-6-one?
4-[4-(3-chloro-4-fluorophenyl)piperazine-1-carbonyl]-1H-pyrimidin-6-one has a molecular weight of 336.75 g/mol, XLogP of 1.52, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(3-chloro-4-fluorophenyl)piperazine-1-carbonyl]-1H-pyrimidin-6-one is sourced from PubChem (CID 137147360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).