3-(2-oxo-2-piperazin-1-ylethyl)pyrimidin-4-one

C10H14N4O2 — CID 63769366

IUPAC3-(2-oxo-2-piperazin-1-ylethyl)pyrimidin-4-one
SMILESO=C(Cn1cnccc1=O)N1CCNCC1
InChIInChI=1S/C10H14N4O2/c15-9-1-2-12-8-14(9)7-10(16)13-5-3-11-4-6-13/h1-2,8,11H,3-7H2
InChIKeyWPGBNNTVQRSJSC-UHFFFAOYSA-N
MW222.25 g/mol
LogP-1.32
Rot. Bonds2

About 3-(2-oxo-2-piperazin-1-ylethyl)pyrimidin-4-one

3-(2-oxo-2-piperazin-1-ylethyl)pyrimidin-4-one (PubChem CID 63769366) has the molecular formula C10H14N4O2 and a molecular weight of 222.25 g/mol. Its IUPAC name is 3-(2-oxo-2-piperazin-1-ylethyl)pyrimidin-4-one.

Molecular Properties

Compound Name3-(2-oxo-2-piperazin-1-ylethyl)pyrimidin-4-one
PubChem CID63769366
Molecular FormulaC10H14N4O2
Molecular Weight222.25 g/mol
Exact Mass222.11
IUPAC Name3-(2-oxo-2-piperazin-1-ylethyl)pyrimidin-4-one
SMILESO=C(Cn1cnccc1=O)N1CCNCC1
InChIInChI=1S/C10H14N4O2/c15-9-1-2-12-8-14(9)7-10(16)13-5-3-11-4-6-13/h1-2,8,11H,3-7H2
InChIKeyWPGBNNTVQRSJSC-UHFFFAOYSA-N
XLogP-1.32
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.25
LogP ≤ 5-1.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(2-oxo-2-piperazin-1-ylethyl)pyrimidin-4-one?
The IUPAC name of 3-(2-oxo-2-piperazin-1-ylethyl)pyrimidin-4-one (CID 63769366) is 3-(2-oxo-2-piperazin-1-ylethyl)pyrimidin-4-one.
What is the SMILES notation for 3-(2-oxo-2-piperazin-1-ylethyl)pyrimidin-4-one?
The canonical SMILES for 3-(2-oxo-2-piperazin-1-ylethyl)pyrimidin-4-one is O=C(Cn1cnccc1=O)N1CCNCC1.
What is the InChIKey of 3-(2-oxo-2-piperazin-1-ylethyl)pyrimidin-4-one?
The InChIKey is WPGBNNTVQRSJSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4O2/c15-9-1-2-12-8-14(9)7-10(16)13-5-3-11-4-6-13/h1-2,8,11H,3-7H2.
What are the key properties of 3-(2-oxo-2-piperazin-1-ylethyl)pyrimidin-4-one?
3-(2-oxo-2-piperazin-1-ylethyl)pyrimidin-4-one has a molecular weight of 222.25 g/mol, XLogP of -1.32, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-oxo-2-piperazin-1-ylethyl)pyrimidin-4-one is sourced from PubChem (CID 63769366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).