4-(4-acetylpiperazine-1-carbonyl)-1H-pyrimidin-6-one

C11H14N4O3 — CID 137147347

IUPAC4-(4-acetylpiperazine-1-carbonyl)-1H-pyrimidin-6-one
SMILESCC(=O)N1CCN(C(=O)c2cc(=O)[nH]cn2)CC1
InChIInChI=1S/C11H14N4O3/c1-8(16)14-2-4-15(5-3-14)11(18)9-6-10(17)13-7-12-9/h6-7H,2-5H2,1H3,(H,12,13,17)
InChIKeyAPYLYBAEVSMOHM-UHFFFAOYSA-N
MW250.26 g/mol
LogP-0.93
Rot. Bonds1

About 4-(4-acetylpiperazine-1-carbonyl)-1H-pyrimidin-6-one

4-(4-acetylpiperazine-1-carbonyl)-1H-pyrimidin-6-one (PubChem CID 137147347) has the molecular formula C11H14N4O3 and a molecular weight of 250.26 g/mol. Its IUPAC name is 4-(4-acetylpiperazine-1-carbonyl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-(4-acetylpiperazine-1-carbonyl)-1H-pyrimidin-6-one
PubChem CID137147347
Molecular FormulaC11H14N4O3
Molecular Weight250.26 g/mol
Exact Mass250.11
IUPAC Name4-(4-acetylpiperazine-1-carbonyl)-1H-pyrimidin-6-one
SMILESCC(=O)N1CCN(C(=O)c2cc(=O)[nH]cn2)CC1
InChIInChI=1S/C11H14N4O3/c1-8(16)14-2-4-15(5-3-14)11(18)9-6-10(17)13-7-12-9/h6-7H,2-5H2,1H3,(H,12,13,17)
InChIKeyAPYLYBAEVSMOHM-UHFFFAOYSA-N
XLogP-0.93
TPSA86.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.26
LogP ≤ 5-0.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(4-acetylpiperazine-1-carbonyl)-1H-pyrimidin-6-one?
The IUPAC name of 4-(4-acetylpiperazine-1-carbonyl)-1H-pyrimidin-6-one (CID 137147347) is 4-(4-acetylpiperazine-1-carbonyl)-1H-pyrimidin-6-one.
What is the SMILES notation for 4-(4-acetylpiperazine-1-carbonyl)-1H-pyrimidin-6-one?
The canonical SMILES for 4-(4-acetylpiperazine-1-carbonyl)-1H-pyrimidin-6-one is CC(=O)N1CCN(C(=O)c2cc(=O)[nH]cn2)CC1.
What is the InChIKey of 4-(4-acetylpiperazine-1-carbonyl)-1H-pyrimidin-6-one?
The InChIKey is APYLYBAEVSMOHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4O3/c1-8(16)14-2-4-15(5-3-14)11(18)9-6-10(17)13-7-12-9/h6-7H,2-5H2,1H3,(H,12,13,17).
What are the key properties of 4-(4-acetylpiperazine-1-carbonyl)-1H-pyrimidin-6-one?
4-(4-acetylpiperazine-1-carbonyl)-1H-pyrimidin-6-one has a molecular weight of 250.26 g/mol, XLogP of -0.93, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-acetylpiperazine-1-carbonyl)-1H-pyrimidin-6-one is sourced from PubChem (CID 137147347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).