4-(4-oxopiperidin-1-yl)-1H-pyrimidin-6-one

C9H11N3O2 — CID 136973274

IUPAC4-(4-oxopiperidin-1-yl)-1H-pyrimidin-6-one
SMILESO=C1CCN(c2cc(=O)[nH]cn2)CC1
InChIInChI=1S/C9H11N3O2/c13-7-1-3-12(4-2-7)8-5-9(14)11-6-10-8/h5-6H,1-4H2,(H,10,11,14)
InChIKeyHUPWRURDYUEYDD-UHFFFAOYSA-N
MW193.21 g/mol
LogP-0.06
Rot. Bonds1

About 4-(4-oxopiperidin-1-yl)-1H-pyrimidin-6-one

4-(4-oxopiperidin-1-yl)-1H-pyrimidin-6-one (PubChem CID 136973274) has the molecular formula C9H11N3O2 and a molecular weight of 193.21 g/mol. Its IUPAC name is 4-(4-oxopiperidin-1-yl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-(4-oxopiperidin-1-yl)-1H-pyrimidin-6-one
PubChem CID136973274
Molecular FormulaC9H11N3O2
Molecular Weight193.21 g/mol
Exact Mass193.09
IUPAC Name4-(4-oxopiperidin-1-yl)-1H-pyrimidin-6-one
SMILESO=C1CCN(c2cc(=O)[nH]cn2)CC1
InChIInChI=1S/C9H11N3O2/c13-7-1-3-12(4-2-7)8-5-9(14)11-6-10-8/h5-6H,1-4H2,(H,10,11,14)
InChIKeyHUPWRURDYUEYDD-UHFFFAOYSA-N
XLogP-0.06
TPSA66.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.21
LogP ≤ 5-0.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(4-oxopiperidin-1-yl)-1H-pyrimidin-6-one?
The IUPAC name of 4-(4-oxopiperidin-1-yl)-1H-pyrimidin-6-one (CID 136973274) is 4-(4-oxopiperidin-1-yl)-1H-pyrimidin-6-one.
What is the SMILES notation for 4-(4-oxopiperidin-1-yl)-1H-pyrimidin-6-one?
The canonical SMILES for 4-(4-oxopiperidin-1-yl)-1H-pyrimidin-6-one is O=C1CCN(c2cc(=O)[nH]cn2)CC1.
What is the InChIKey of 4-(4-oxopiperidin-1-yl)-1H-pyrimidin-6-one?
The InChIKey is HUPWRURDYUEYDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3O2/c13-7-1-3-12(4-2-7)8-5-9(14)11-6-10-8/h5-6H,1-4H2,(H,10,11,14).
What are the key properties of 4-(4-oxopiperidin-1-yl)-1H-pyrimidin-6-one?
4-(4-oxopiperidin-1-yl)-1H-pyrimidin-6-one has a molecular weight of 193.21 g/mol, XLogP of -0.06, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-oxopiperidin-1-yl)-1H-pyrimidin-6-one is sourced from PubChem (CID 136973274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).