3-(3-oxopiperazine-1-carbonyl)pyrido[1,2-a]pyrimidin-4-one

C13H12N4O3 — CID 60718101

IUPAC3-(3-oxopiperazine-1-carbonyl)pyrido[1,2-a]pyrimidin-4-one
SMILESO=C1CN(C(=O)c2cnc3ccccn3c2=O)CCN1
InChIInChI=1S/C13H12N4O3/c18-11-8-16(6-4-14-11)12(19)9-7-15-10-3-1-2-5-17(10)13(9)20/h1-3,5,7H,4,6,8H2,(H,14,18)
InChIKeySUVIOPZVMSNMJB-UHFFFAOYSA-N
MW272.26 g/mol
LogP-0.73
Rot. Bonds1

About 3-(3-oxopiperazine-1-carbonyl)pyrido[1,2-a]pyrimidin-4-one

3-(3-oxopiperazine-1-carbonyl)pyrido[1,2-a]pyrimidin-4-one (PubChem CID 60718101) has the molecular formula C13H12N4O3 and a molecular weight of 272.26 g/mol. Its IUPAC name is 3-(3-oxopiperazine-1-carbonyl)pyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name3-(3-oxopiperazine-1-carbonyl)pyrido[1,2-a]pyrimidin-4-one
PubChem CID60718101
Molecular FormulaC13H12N4O3
Molecular Weight272.26 g/mol
Exact Mass272.09
IUPAC Name3-(3-oxopiperazine-1-carbonyl)pyrido[1,2-a]pyrimidin-4-one
SMILESO=C1CN(C(=O)c2cnc3ccccn3c2=O)CCN1
InChIInChI=1S/C13H12N4O3/c18-11-8-16(6-4-14-11)12(19)9-7-15-10-3-1-2-5-17(10)13(9)20/h1-3,5,7H,4,6,8H2,(H,14,18)
InChIKeySUVIOPZVMSNMJB-UHFFFAOYSA-N
XLogP-0.73
TPSA83.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.26
LogP ≤ 5-0.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(3-oxopiperazine-1-carbonyl)pyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 3-(3-oxopiperazine-1-carbonyl)pyrido[1,2-a]pyrimidin-4-one (CID 60718101) is 3-(3-oxopiperazine-1-carbonyl)pyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 3-(3-oxopiperazine-1-carbonyl)pyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 3-(3-oxopiperazine-1-carbonyl)pyrido[1,2-a]pyrimidin-4-one is O=C1CN(C(=O)c2cnc3ccccn3c2=O)CCN1.
What is the InChIKey of 3-(3-oxopiperazine-1-carbonyl)pyrido[1,2-a]pyrimidin-4-one?
The InChIKey is SUVIOPZVMSNMJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N4O3/c18-11-8-16(6-4-14-11)12(19)9-7-15-10-3-1-2-5-17(10)13(9)20/h1-3,5,7H,4,6,8H2,(H,14,18).
What are the key properties of 3-(3-oxopiperazine-1-carbonyl)pyrido[1,2-a]pyrimidin-4-one?
3-(3-oxopiperazine-1-carbonyl)pyrido[1,2-a]pyrimidin-4-one has a molecular weight of 272.26 g/mol, XLogP of -0.73, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-oxopiperazine-1-carbonyl)pyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 60718101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).