2-piperidin-3-yl-1H-pyrimidin-6-one

C9H13N3O — CID 63362649

IUPAC2-piperidin-3-yl-1H-pyrimidin-6-one
SMILESO=c1ccnc(C2CCCNC2)[nH]1
InChIInChI=1S/C9H13N3O/c13-8-3-5-11-9(12-8)7-2-1-4-10-6-7/h3,5,7,10H,1-2,4,6H2,(H,11,12,13)
InChIKeyITKGFQQNPHMPOZ-UHFFFAOYSA-N
MW179.22 g/mol
LogP0.24
Rot. Bonds1

About 2-piperidin-3-yl-1H-pyrimidin-6-one

2-piperidin-3-yl-1H-pyrimidin-6-one (PubChem CID 63362649) has the molecular formula C9H13N3O and a molecular weight of 179.22 g/mol. Its IUPAC name is 2-piperidin-3-yl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-piperidin-3-yl-1H-pyrimidin-6-one
PubChem CID63362649
Molecular FormulaC9H13N3O
Molecular Weight179.22 g/mol
Exact Mass179.11
IUPAC Name2-piperidin-3-yl-1H-pyrimidin-6-one
SMILESO=c1ccnc(C2CCCNC2)[nH]1
InChIInChI=1S/C9H13N3O/c13-8-3-5-11-9(12-8)7-2-1-4-10-6-7/h3,5,7,10H,1-2,4,6H2,(H,11,12,13)
InChIKeyITKGFQQNPHMPOZ-UHFFFAOYSA-N
XLogP0.24
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.22
LogP ≤ 50.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-piperidin-3-yl-1H-pyrimidin-6-one?
The IUPAC name of 2-piperidin-3-yl-1H-pyrimidin-6-one (CID 63362649) is 2-piperidin-3-yl-1H-pyrimidin-6-one.
What is the SMILES notation for 2-piperidin-3-yl-1H-pyrimidin-6-one?
The canonical SMILES for 2-piperidin-3-yl-1H-pyrimidin-6-one is O=c1ccnc(C2CCCNC2)[nH]1.
What is the InChIKey of 2-piperidin-3-yl-1H-pyrimidin-6-one?
The InChIKey is ITKGFQQNPHMPOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O/c13-8-3-5-11-9(12-8)7-2-1-4-10-6-7/h3,5,7,10H,1-2,4,6H2,(H,11,12,13).
What are the key properties of 2-piperidin-3-yl-1H-pyrimidin-6-one?
2-piperidin-3-yl-1H-pyrimidin-6-one has a molecular weight of 179.22 g/mol, XLogP of 0.24, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-piperidin-3-yl-1H-pyrimidin-6-one is sourced from PubChem (CID 63362649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).