3-(4-fluorophenyl)-4-[(4-methyl-6-phenylpyrimidin-2-yl)methyl]piperazin-2-one

C22H21FN4O — CID 135118287

IUPAC3-(4-fluorophenyl)-4-[(4-methyl-6-phenylpyrimidin-2-yl)methyl]piperazin-2-one
SMILESCc1cc(-c2ccccc2)nc(CN2CCNC(=O)C2c2ccc(F)cc2)n1
InChIInChI=1S/C22H21FN4O/c1-15-13-19(16-5-3-2-4-6-16)26-20(25-15)14-27-12-11-24-22(28)21(27)17-7-9-18(23)10-8-17/h2-10,13,21H,11-12,14H2,1H3,(H,24,28)
InChIKeyPUZJUNGLVTZAPH-UHFFFAOYSA-N
MW376.44 g/mol
LogP3.26
Rot. Bonds4

About 3-(4-fluorophenyl)-4-[(4-methyl-6-phenylpyrimidin-2-yl)methyl]piperazin-2-one

3-(4-fluorophenyl)-4-[(4-methyl-6-phenylpyrimidin-2-yl)methyl]piperazin-2-one (PubChem CID 135118287) has the molecular formula C22H21FN4O and a molecular weight of 376.44 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-4-[(4-methyl-6-phenylpyrimidin-2-yl)methyl]piperazin-2-one.

Molecular Properties

Compound Name3-(4-fluorophenyl)-4-[(4-methyl-6-phenylpyrimidin-2-yl)methyl]piperazin-2-one
PubChem CID135118287
Molecular FormulaC22H21FN4O
Molecular Weight376.44 g/mol
Exact Mass376.17
IUPAC Name3-(4-fluorophenyl)-4-[(4-methyl-6-phenylpyrimidin-2-yl)methyl]piperazin-2-one
SMILESCc1cc(-c2ccccc2)nc(CN2CCNC(=O)C2c2ccc(F)cc2)n1
InChIInChI=1S/C22H21FN4O/c1-15-13-19(16-5-3-2-4-6-16)26-20(25-15)14-27-12-11-24-22(28)21(27)17-7-9-18(23)10-8-17/h2-10,13,21H,11-12,14H2,1H3,(H,24,28)
InChIKeyPUZJUNGLVTZAPH-UHFFFAOYSA-N
XLogP3.26
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.44
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-4-[(4-methyl-6-phenylpyrimidin-2-yl)methyl]piperazin-2-one?
The IUPAC name of 3-(4-fluorophenyl)-4-[(4-methyl-6-phenylpyrimidin-2-yl)methyl]piperazin-2-one (CID 135118287) is 3-(4-fluorophenyl)-4-[(4-methyl-6-phenylpyrimidin-2-yl)methyl]piperazin-2-one.
What is the SMILES notation for 3-(4-fluorophenyl)-4-[(4-methyl-6-phenylpyrimidin-2-yl)methyl]piperazin-2-one?
The canonical SMILES for 3-(4-fluorophenyl)-4-[(4-methyl-6-phenylpyrimidin-2-yl)methyl]piperazin-2-one is Cc1cc(-c2ccccc2)nc(CN2CCNC(=O)C2c2ccc(F)cc2)n1.
What is the InChIKey of 3-(4-fluorophenyl)-4-[(4-methyl-6-phenylpyrimidin-2-yl)methyl]piperazin-2-one?
The InChIKey is PUZJUNGLVTZAPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21FN4O/c1-15-13-19(16-5-3-2-4-6-16)26-20(25-15)14-27-12-11-24-22(28)21(27)17-7-9-18(23)10-8-17/h2-10,13,21H,11-12,14H2,1H3,(H,24,28).
What are the key properties of 3-(4-fluorophenyl)-4-[(4-methyl-6-phenylpyrimidin-2-yl)methyl]piperazin-2-one?
3-(4-fluorophenyl)-4-[(4-methyl-6-phenylpyrimidin-2-yl)methyl]piperazin-2-one has a molecular weight of 376.44 g/mol, XLogP of 3.26, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-4-[(4-methyl-6-phenylpyrimidin-2-yl)methyl]piperazin-2-one is sourced from PubChem (CID 135118287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).