4-(2-acetylpiperidin-1-yl)-5-bromo-1H-pyrimidin-6-one

C11H14BrN3O2 — CID 136973308

IUPAC4-(2-acetylpiperidin-1-yl)-5-bromo-1H-pyrimidin-6-one
SMILESCC(=O)C1CCCCN1c1nc[nH]c(=O)c1Br
InChIInChI=1S/C11H14BrN3O2/c1-7(16)8-4-2-3-5-15(8)10-9(12)11(17)14-6-13-10/h6,8H,2-5H2,1H3,(H,13,14,17)
InChIKeyOLMUGCMIJPCHOJ-UHFFFAOYSA-N
MW300.16 g/mol
LogP1.48
Rot. Bonds2

About 4-(2-acetylpiperidin-1-yl)-5-bromo-1H-pyrimidin-6-one

4-(2-acetylpiperidin-1-yl)-5-bromo-1H-pyrimidin-6-one (PubChem CID 136973308) has the molecular formula C11H14BrN3O2 and a molecular weight of 300.16 g/mol. Its IUPAC name is 4-(2-acetylpiperidin-1-yl)-5-bromo-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-(2-acetylpiperidin-1-yl)-5-bromo-1H-pyrimidin-6-one
PubChem CID136973308
Molecular FormulaC11H14BrN3O2
Molecular Weight300.16 g/mol
Exact Mass299.03
IUPAC Name4-(2-acetylpiperidin-1-yl)-5-bromo-1H-pyrimidin-6-one
SMILESCC(=O)C1CCCCN1c1nc[nH]c(=O)c1Br
InChIInChI=1S/C11H14BrN3O2/c1-7(16)8-4-2-3-5-15(8)10-9(12)11(17)14-6-13-10/h6,8H,2-5H2,1H3,(H,13,14,17)
InChIKeyOLMUGCMIJPCHOJ-UHFFFAOYSA-N
XLogP1.48
TPSA66.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.16
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-(2-acetylpiperidin-1-yl)-5-bromo-1H-pyrimidin-6-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-bromo-4-[(2S,6R)-2,6-dimethylpiperidin-1-yl]-1H-pyrimidin-6-one
CID 136878590
5-bromo-4-(2-methylpiperidin-1-yl)-1H-pyrimidin-6-one
CID 136970678
5-bromo-4-(2-ethylpiperidin-1-yl)-1H-pyrimidin-6-one
CID 136970748
5-bromo-4-(2,6-dimethylpiperidin-1-yl)-1H-pyrimidin-6-one
CID 136970943
1-(5-bromo-6-oxo-1H-pyrimidin-4-yl)piperidine-2-carboxamide
CID 136971081
1-(5-bromo-6-oxo-1H-pyrimidin-4-yl)-N-methylpiperidine-2-carboxamide
CID 136971084
5-bromo-4-(2-propylpiperidin-1-yl)-1H-pyrimidin-6-one
CID 136971541
5-bromo-4-(4-oxopiperidin-1-yl)-1H-pyrimidin-6-one
CID 136973280
4-(2-acetylpiperidin-1-yl)-1H-pyrimidin-6-one
CID 136973302
4-(2-acetylpiperidin-1-yl)-5-chloro-1H-pyrimidin-6-one
CID 136973307
4-(2-acetylpiperidin-1-yl)-5-iodo-1H-pyrimidin-6-one
CID 136973309
4-(2-acetylpiperidin-1-yl)-5-amino-1H-pyrimidin-6-one
CID 136973310

Frequently Asked Questions

What is the IUPAC name of 4-(2-acetylpiperidin-1-yl)-5-bromo-1H-pyrimidin-6-one?
The IUPAC name of 4-(2-acetylpiperidin-1-yl)-5-bromo-1H-pyrimidin-6-one (CID 136973308) is 4-(2-acetylpiperidin-1-yl)-5-bromo-1H-pyrimidin-6-one.
What is the SMILES notation for 4-(2-acetylpiperidin-1-yl)-5-bromo-1H-pyrimidin-6-one?
The canonical SMILES for 4-(2-acetylpiperidin-1-yl)-5-bromo-1H-pyrimidin-6-one is CC(=O)C1CCCCN1c1nc[nH]c(=O)c1Br.
What is the InChIKey of 4-(2-acetylpiperidin-1-yl)-5-bromo-1H-pyrimidin-6-one?
The InChIKey is OLMUGCMIJPCHOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrN3O2/c1-7(16)8-4-2-3-5-15(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-(2-acetylpiperidin-1-yl)-5-bromo-1H-pyrimidin-6-one?
4-(2-acetylpiperidin-1-yl)-5-bromo-1H-pyrimidin-6-one has a molecular weight of 300.16 g/mol, XLogP of 1.48, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-acetylpiperidin-1-yl)-5-bromo-1H-pyrimidin-6-one is sourced from PubChem (CID 136973308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).