2-(4-acetylpiperazin-1-yl)-4-phenyl-1H-pyrimidin-6-one

C16H18N4O2 — CID 136780047

IUPAC2-(4-acetylpiperazin-1-yl)-4-phenyl-1H-pyrimidin-6-one
SMILESCC(=O)N1CCN(c2nc(-c3ccccc3)cc(=O)[nH]2)CC1
InChIInChI=1S/C16H18N4O2/c1-12(21)19-7-9-20(10-8-19)16-17-14(11-15(22)18-16)13-5-3-2-4-6-13/h2-6,11H,7-10H2,1H3,(H,17,18,22)
InChIKeyMZHHZGJERHXPJA-UHFFFAOYSA-N
MW298.35 g/mol
LogP1.11
Rot. Bonds2

About 2-(4-acetylpiperazin-1-yl)-4-phenyl-1H-pyrimidin-6-one

2-(4-acetylpiperazin-1-yl)-4-phenyl-1H-pyrimidin-6-one (PubChem CID 136780047) has the molecular formula C16H18N4O2 and a molecular weight of 298.35 g/mol. Its IUPAC name is 2-(4-acetylpiperazin-1-yl)-4-phenyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-(4-acetylpiperazin-1-yl)-4-phenyl-1H-pyrimidin-6-one
PubChem CID136780047
Molecular FormulaC16H18N4O2
Molecular Weight298.35 g/mol
Exact Mass298.14
IUPAC Name2-(4-acetylpiperazin-1-yl)-4-phenyl-1H-pyrimidin-6-one
SMILESCC(=O)N1CCN(c2nc(-c3ccccc3)cc(=O)[nH]2)CC1
InChIInChI=1S/C16H18N4O2/c1-12(21)19-7-9-20(10-8-19)16-17-14(11-15(22)18-16)13-5-3-2-4-6-13/h2-6,11H,7-10H2,1H3,(H,17,18,22)
InChIKeyMZHHZGJERHXPJA-UHFFFAOYSA-N
XLogP1.11
TPSA69.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.35
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(4-methylphenyl)-2-(4-phenylpiperazin-1-yl)-1H-pyrimidin-6-one
CID 135644799
4-(4-methoxyphenyl)-2-(4-phenylpiperazin-1-yl)-1H-pyrimidin-6-one
CID 135520797
4-(3-methylphenyl)-2-pyrrolidin-1-yl-1H-pyrimidin-6-one
CID 136741001
4-(4-fluorophenyl)-2-[4-(4-fluorophenyl)piperazin-1-yl]-1H-pyrimidin-6-one
CID 135629079
1-[4-(1H-benzimidazol-2-yl)piperazin-1-yl]ethanone
CID 110376496
4-(4-chlorophenyl)-2-[4-(4-chlorophenyl)piperazin-1-yl]-1H-pyrimidin-6-one
CID 135644855
tert-butyl N-[1-(6-oxo-4-phenyl-1H-pyrimidin-2-yl)pyrrolidin-3-yl]carbamate
CID 135630848
1-[4-(4-phenyl-6-pyrrolidin-1-ylpyrimidin-2-yl)piperazin-1-yl]ethanone
CID 112934085
N-(6-oxo-4-phenyl-1H-pyrimidin-2-yl)acetamide
CID 135590630
4-(3-methoxyphenyl)-2-[4-(2-methoxyphenyl)piperazin-1-yl]-1H-pyrimidin-6-one
CID 135762492
4-(4-methoxyphenyl)-2-piperazin-1-yl-1H-pyrimidin-6-one
CID 136923018
2-(4-hydroxy-2-oxopyrrolidin-1-yl)-4-phenyl-1H-pyrimidin-6-one
CID 168704019

Frequently Asked Questions

What is the IUPAC name of 2-(4-acetylpiperazin-1-yl)-4-phenyl-1H-pyrimidin-6-one?
The IUPAC name of 2-(4-acetylpiperazin-1-yl)-4-phenyl-1H-pyrimidin-6-one (CID 136780047) is 2-(4-acetylpiperazin-1-yl)-4-phenyl-1H-pyrimidin-6-one.
What is the SMILES notation for 2-(4-acetylpiperazin-1-yl)-4-phenyl-1H-pyrimidin-6-one?
The canonical SMILES for 2-(4-acetylpiperazin-1-yl)-4-phenyl-1H-pyrimidin-6-one is CC(=O)N1CCN(c2nc(-c3ccccc3)cc(=O)[nH]2)CC1.
What is the InChIKey of 2-(4-acetylpiperazin-1-yl)-4-phenyl-1H-pyrimidin-6-one?
The InChIKey is MZHHZGJERHXPJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O2/c1-12(21)19-7-9-20(10-8-19)16-17-14(11-15(22)18-16)13-5-3-2-4-6-13/h2-6,11H,7-10H2,1H3,(H,17,18,22).
What are the key properties of 2-(4-acetylpiperazin-1-yl)-4-phenyl-1H-pyrimidin-6-one?
2-(4-acetylpiperazin-1-yl)-4-phenyl-1H-pyrimidin-6-one has a molecular weight of 298.35 g/mol, XLogP of 1.11, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-acetylpiperazin-1-yl)-4-phenyl-1H-pyrimidin-6-one is sourced from PubChem (CID 136780047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).