1-(3-oxo-3-piperazin-1-ylpropyl)pyrimidin-2-one

C11H16N4O2 — CID 62543429

IUPAC1-(3-oxo-3-piperazin-1-ylpropyl)pyrimidin-2-one
SMILESO=C(CCn1cccnc1=O)N1CCNCC1
InChIInChI=1S/C11H16N4O2/c16-10(14-8-4-12-5-9-14)2-7-15-6-1-3-13-11(15)17/h1,3,6,12H,2,4-5,7-9H2
InChIKeyNJQNBPPLNHAHBW-UHFFFAOYSA-N
MW236.27 g/mol
LogP-0.93
Rot. Bonds3

About 1-(3-oxo-3-piperazin-1-ylpropyl)pyrimidin-2-one

1-(3-oxo-3-piperazin-1-ylpropyl)pyrimidin-2-one (PubChem CID 62543429) has the molecular formula C11H16N4O2 and a molecular weight of 236.27 g/mol. Its IUPAC name is 1-(3-oxo-3-piperazin-1-ylpropyl)pyrimidin-2-one.

Molecular Properties

Compound Name1-(3-oxo-3-piperazin-1-ylpropyl)pyrimidin-2-one
PubChem CID62543429
Molecular FormulaC11H16N4O2
Molecular Weight236.27 g/mol
Exact Mass236.13
IUPAC Name1-(3-oxo-3-piperazin-1-ylpropyl)pyrimidin-2-one
SMILESO=C(CCn1cccnc1=O)N1CCNCC1
InChIInChI=1S/C11H16N4O2/c16-10(14-8-4-12-5-9-14)2-7-15-6-1-3-13-11(15)17/h1,3,6,12H,2,4-5,7-9H2
InChIKeyNJQNBPPLNHAHBW-UHFFFAOYSA-N
XLogP-0.93
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.27
LogP ≤ 5-0.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(3-oxo-3-piperazin-1-ylpropyl)pyrimidin-2-one?
The IUPAC name of 1-(3-oxo-3-piperazin-1-ylpropyl)pyrimidin-2-one (CID 62543429) is 1-(3-oxo-3-piperazin-1-ylpropyl)pyrimidin-2-one.
What is the SMILES notation for 1-(3-oxo-3-piperazin-1-ylpropyl)pyrimidin-2-one?
The canonical SMILES for 1-(3-oxo-3-piperazin-1-ylpropyl)pyrimidin-2-one is O=C(CCn1cccnc1=O)N1CCNCC1.
What is the InChIKey of 1-(3-oxo-3-piperazin-1-ylpropyl)pyrimidin-2-one?
The InChIKey is NJQNBPPLNHAHBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O2/c16-10(14-8-4-12-5-9-14)2-7-15-6-1-3-13-11(15)17/h1,3,6,12H,2,4-5,7-9H2.
What are the key properties of 1-(3-oxo-3-piperazin-1-ylpropyl)pyrimidin-2-one?
1-(3-oxo-3-piperazin-1-ylpropyl)pyrimidin-2-one has a molecular weight of 236.27 g/mol, XLogP of -0.93, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-oxo-3-piperazin-1-ylpropyl)pyrimidin-2-one is sourced from PubChem (CID 62543429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).