4-(4-acetylpiperidin-1-yl)-5-iodo-1H-pyrimidin-6-one

C11H14IN3O2 — CID 136973300

IUPAC4-(4-acetylpiperidin-1-yl)-5-iodo-1H-pyrimidin-6-one
SMILESCC(=O)C1CCN(c2nc[nH]c(=O)c2I)CC1
InChIInChI=1S/C11H14IN3O2/c1-7(16)8-2-4-15(5-3-8)10-9(12)11(17)14-6-13-10/h6,8H,2-5H2,1H3,(H,13,14,17)
InChIKeyXZIUPIRNWWSFNR-UHFFFAOYSA-N
MW347.16 g/mol
LogP1.18
Rot. Bonds2

About 4-(4-acetylpiperidin-1-yl)-5-iodo-1H-pyrimidin-6-one

4-(4-acetylpiperidin-1-yl)-5-iodo-1H-pyrimidin-6-one (PubChem CID 136973300) has the molecular formula C11H14IN3O2 and a molecular weight of 347.16 g/mol. Its IUPAC name is 4-(4-acetylpiperidin-1-yl)-5-iodo-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-(4-acetylpiperidin-1-yl)-5-iodo-1H-pyrimidin-6-one
PubChem CID136973300
Molecular FormulaC11H14IN3O2
Molecular Weight347.16 g/mol
Exact Mass347.01
IUPAC Name4-(4-acetylpiperidin-1-yl)-5-iodo-1H-pyrimidin-6-one
SMILESCC(=O)C1CCN(c2nc[nH]c(=O)c2I)CC1
InChIInChI=1S/C11H14IN3O2/c1-7(16)8-2-4-15(5-3-8)10-9(12)11(17)14-6-13-10/h6,8H,2-5H2,1H3,(H,13,14,17)
InChIKeyXZIUPIRNWWSFNR-UHFFFAOYSA-N
XLogP1.18
TPSA66.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.16
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

1-(5-iodo-6-oxo-1H-pyrimidin-4-yl)-N-methylpiperidine-3-carboxamide
CID 136689238
N-[[1-(5-iodo-6-oxo-1H-pyrimidin-4-yl)piperidin-4-yl]methyl]acetamide
CID 136792775
methyl 1-(5-iodo-6-oxo-1H-pyrimidin-4-yl)piperidine-4-carboxylate
CID 136954296
5-iodo-4-[2-(4-methylpiperidin-1-yl)ethylamino]-1H-pyrimidin-6-one
CID 136954306
1-(5-iodo-6-oxo-1H-pyrimidin-4-yl)-N-methylpiperidine-4-carboxamide
CID 136954314
5-iodo-4-[(1-methylpiperidin-4-yl)methylamino]-1H-pyrimidin-6-one
CID 136956457
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
4-[4-[(dimethylamino)methyl]piperidin-1-yl]-5-iodo-1H-pyrimidin-6-one
CID 136957603
4-(4-ethylpiperidin-1-yl)-5-iodo-1H-pyrimidin-6-one
CID 136957692
4-(4-tert-butylpiperidin-1-yl)-5-iodo-1H-pyrimidin-6-one
CID 136957733
5-iodo-4-(4-propylpiperidin-1-yl)-1H-pyrimidin-6-one
CID 136957736

Frequently Asked Questions

What is the IUPAC name of 4-(4-acetylpiperidin-1-yl)-5-iodo-1H-pyrimidin-6-one?
The IUPAC name of 4-(4-acetylpiperidin-1-yl)-5-iodo-1H-pyrimidin-6-one (CID 136973300) is 4-(4-acetylpiperidin-1-yl)-5-iodo-1H-pyrimidin-6-one.
What is the SMILES notation for 4-(4-acetylpiperidin-1-yl)-5-iodo-1H-pyrimidin-6-one?
The canonical SMILES for 4-(4-acetylpiperidin-1-yl)-5-iodo-1H-pyrimidin-6-one is CC(=O)C1CCN(c2nc[nH]c(=O)c2I)CC1.
What is the InChIKey of 4-(4-acetylpiperidin-1-yl)-5-iodo-1H-pyrimidin-6-one?
The InChIKey is XZIUPIRNWWSFNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14IN3O2/c1-7(16)8-2-4-15(5-3-8)10-9(12)11(17)14-6-13-10/h6,8H,2-5H2,1H3,(H,13,14,17).
What are the key properties of 4-(4-acetylpiperidin-1-yl)-5-iodo-1H-pyrimidin-6-one?
4-(4-acetylpiperidin-1-yl)-5-iodo-1H-pyrimidin-6-one has a molecular weight of 347.16 g/mol, XLogP of 1.18, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-acetylpiperidin-1-yl)-5-iodo-1H-pyrimidin-6-one is sourced from PubChem (CID 136973300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).