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

C9H10ClN3O2 — CID 136973279

IUPAC5-chloro-4-(4-oxopiperidin-1-yl)-1H-pyrimidin-6-one
SMILESO=C1CCN(c2nc[nH]c(=O)c2Cl)CC1
InChIInChI=1S/C9H10ClN3O2/c10-7-8(11-5-12-9(7)15)13-3-1-6(14)2-4-13/h5H,1-4H2,(H,11,12,15)
InChIKeyPPLNQKKZRNMPOX-UHFFFAOYSA-N
MW227.65 g/mol
LogP0.59
Rot. Bonds1

About 5-chloro-4-(4-oxopiperidin-1-yl)-1H-pyrimidin-6-one

5-chloro-4-(4-oxopiperidin-1-yl)-1H-pyrimidin-6-one (PubChem CID 136973279) has the molecular formula C9H10ClN3O2 and a molecular weight of 227.65 g/mol. Its IUPAC name is 5-chloro-4-(4-oxopiperidin-1-yl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-chloro-4-(4-oxopiperidin-1-yl)-1H-pyrimidin-6-one
PubChem CID136973279
Molecular FormulaC9H10ClN3O2
Molecular Weight227.65 g/mol
Exact Mass227.05
IUPAC Name5-chloro-4-(4-oxopiperidin-1-yl)-1H-pyrimidin-6-one
SMILESO=C1CCN(c2nc[nH]c(=O)c2Cl)CC1
InChIInChI=1S/C9H10ClN3O2/c10-7-8(11-5-12-9(7)15)13-3-1-6(14)2-4-13/h5H,1-4H2,(H,11,12,15)
InChIKeyPPLNQKKZRNMPOX-UHFFFAOYSA-N
XLogP0.59
TPSA66.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.65
LogP ≤ 50.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-chloro-4-(2-methylpiperidin-1-yl)-1H-pyrimidin-6-one
CID 136970677
5-chloro-4-(4-chloropiperidin-1-yl)-1H-pyrimidin-6-one
CID 136971769
5-chloro-4-(3-chloropiperidin-1-yl)-1H-pyrimidin-6-one
CID 136971795
4-[4-(5-aminopentyl)piperazin-1-yl]-5-chloro-1H-pyrimidin-6-one
CID 136972678
6-(4-Oxopiperidin-1-yl)-3,4-dihydropyrimidin-4-one
CID 136973274
5-bromo-4-(4-oxopiperidin-1-yl)-1H-pyrimidin-6-one
CID 136973280
5-iodo-4-(4-oxopiperidin-1-yl)-1H-pyrimidin-6-one
CID 136973281
4-(3-acetylpiperidin-1-yl)-5-chloro-1H-pyrimidin-6-one
CID 136973289
4-(4-acetylpiperidin-1-yl)-5-chloro-1H-pyrimidin-6-one
CID 136973298
4-(2-acetylpiperidin-1-yl)-5-chloro-1H-pyrimidin-6-one
CID 136973307
5-chloro-4-(3-oxopiperidin-1-yl)-1H-pyrimidin-6-one
CID 136973342
5-chloro-4-(2-piperidin-1-ylethylamino)-1H-pyrimidin-6-one
CID 136975021

Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-(4-oxopiperidin-1-yl)-1H-pyrimidin-6-one?
The IUPAC name of 5-chloro-4-(4-oxopiperidin-1-yl)-1H-pyrimidin-6-one (CID 136973279) is 5-chloro-4-(4-oxopiperidin-1-yl)-1H-pyrimidin-6-one.
What is the SMILES notation for 5-chloro-4-(4-oxopiperidin-1-yl)-1H-pyrimidin-6-one?
The canonical SMILES for 5-chloro-4-(4-oxopiperidin-1-yl)-1H-pyrimidin-6-one is O=C1CCN(c2nc[nH]c(=O)c2Cl)CC1.
What is the InChIKey of 5-chloro-4-(4-oxopiperidin-1-yl)-1H-pyrimidin-6-one?
The InChIKey is PPLNQKKZRNMPOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10ClN3O2/c10-7-8(11-5-12-9(7)15)13-3-1-6(14)2-4-13/h5H,1-4H2,(H,11,12,15).
What are the key properties of 5-chloro-4-(4-oxopiperidin-1-yl)-1H-pyrimidin-6-one?
5-chloro-4-(4-oxopiperidin-1-yl)-1H-pyrimidin-6-one has a molecular weight of 227.65 g/mol, XLogP of 0.59, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-(4-oxopiperidin-1-yl)-1H-pyrimidin-6-one is sourced from PubChem (CID 136973279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).