4-(3-oxopiperidin-1-yl)-1H-pyrimidin-6-one

C9H11N3O2 — CID 136973337

IUPAC4-(3-oxopiperidin-1-yl)-1H-pyrimidin-6-one
SMILESO=C1CCCN(c2cc(=O)[nH]cn2)C1
InChIInChI=1S/C9H11N3O2/c13-7-2-1-3-12(5-7)8-4-9(14)11-6-10-8/h4,6H,1-3,5H2,(H,10,11,14)
InChIKeyTVBSPZOKFMIQSP-UHFFFAOYSA-N
MW193.21 g/mol
LogP-0.06
Rot. Bonds1

About 4-(3-oxopiperidin-1-yl)-1H-pyrimidin-6-one

4-(3-oxopiperidin-1-yl)-1H-pyrimidin-6-one (PubChem CID 136973337) has the molecular formula C9H11N3O2 and a molecular weight of 193.21 g/mol. Its IUPAC name is 4-(3-oxopiperidin-1-yl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-(3-oxopiperidin-1-yl)-1H-pyrimidin-6-one
PubChem CID136973337
Molecular FormulaC9H11N3O2
Molecular Weight193.21 g/mol
Exact Mass193.09
IUPAC Name4-(3-oxopiperidin-1-yl)-1H-pyrimidin-6-one
SMILESO=C1CCCN(c2cc(=O)[nH]cn2)C1
InChIInChI=1S/C9H11N3O2/c13-7-2-1-3-12(5-7)8-4-9(14)11-6-10-8/h4,6H,1-3,5H2,(H,10,11,14)
InChIKeyTVBSPZOKFMIQSP-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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Related Compounds

6-(Piperidin-1-yl)-3,4-dihydropyrimidin-4-one
CID 136957380
6-(4-Fluoropiperidin-1-yl)-3,4-dihydropyrimidin-4-one
CID 164648869
4-[(2-oxo-2-piperidin-1-ylethyl)amino]-1H-pyrimidin-6-one
CID 136957098
1-(6-oxo-1H-pyrimidin-4-yl)piperidine-4-carboxamide
CID 136957332
N-methyl-1-(6-oxo-1H-pyrimidin-4-yl)piperidine-4-carboxamide
CID 136957497
6-(4-Oxopiperidin-1-yl)-3,4-dihydropyrimidin-4-one
CID 136973274
4-(4-acetylpiperidin-1-yl)-1H-pyrimidin-6-one
CID 136973293
4-(2-acetylpiperidin-1-yl)-1H-pyrimidin-6-one
CID 136973302
2-methyl-4-(3-oxopiperidin-1-yl)-1H-pyrimidin-6-one
CID 136973340
2-ethyl-4-(3-oxopiperidin-1-yl)-1H-pyrimidin-6-one
CID 136973341
5-chloro-4-(3-oxopiperidin-1-yl)-1H-pyrimidin-6-one
CID 136973342
5-bromo-4-(3-oxopiperidin-1-yl)-1H-pyrimidin-6-one
CID 136973343

Frequently Asked Questions

What is the IUPAC name of 4-(3-oxopiperidin-1-yl)-1H-pyrimidin-6-one?
The IUPAC name of 4-(3-oxopiperidin-1-yl)-1H-pyrimidin-6-one (CID 136973337) is 4-(3-oxopiperidin-1-yl)-1H-pyrimidin-6-one.
What is the SMILES notation for 4-(3-oxopiperidin-1-yl)-1H-pyrimidin-6-one?
The canonical SMILES for 4-(3-oxopiperidin-1-yl)-1H-pyrimidin-6-one is O=C1CCCN(c2cc(=O)[nH]cn2)C1.
What is the InChIKey of 4-(3-oxopiperidin-1-yl)-1H-pyrimidin-6-one?
The InChIKey is TVBSPZOKFMIQSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3O2/c13-7-2-1-3-12(5-7)8-4-9(14)11-6-10-8/h4,6H,1-3,5H2,(H,10,11,14).
What are the key properties of 4-(3-oxopiperidin-1-yl)-1H-pyrimidin-6-one?
4-(3-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-(3-oxopiperidin-1-yl)-1H-pyrimidin-6-one is sourced from PubChem (CID 136973337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).