4-(3-acetylpiperidin-1-yl)-5-chloro-1H-pyrimidin-6-one

C11H14ClN3O2 — CID 136973289

IUPAC4-(3-acetylpiperidin-1-yl)-5-chloro-1H-pyrimidin-6-one
SMILESCC(=O)C1CCCN(c2nc[nH]c(=O)c2Cl)C1
InChIInChI=1S/C11H14ClN3O2/c1-7(16)8-3-2-4-15(5-8)10-9(12)11(17)14-6-13-10/h6,8H,2-5H2,1H3,(H,13,14,17)
InChIKeyOQIANMOSRHYHQB-UHFFFAOYSA-N
MW255.70 g/mol
LogP1.23
Rot. Bonds2

About 4-(3-acetylpiperidin-1-yl)-5-chloro-1H-pyrimidin-6-one

4-(3-acetylpiperidin-1-yl)-5-chloro-1H-pyrimidin-6-one (PubChem CID 136973289) has the molecular formula C11H14ClN3O2 and a molecular weight of 255.70 g/mol. Its IUPAC name is 4-(3-acetylpiperidin-1-yl)-5-chloro-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-(3-acetylpiperidin-1-yl)-5-chloro-1H-pyrimidin-6-one
PubChem CID136973289
Molecular FormulaC11H14ClN3O2
Molecular Weight255.70 g/mol
Exact Mass255.08
IUPAC Name4-(3-acetylpiperidin-1-yl)-5-chloro-1H-pyrimidin-6-one
SMILESCC(=O)C1CCCN(c2nc[nH]c(=O)c2Cl)C1
InChIInChI=1S/C11H14ClN3O2/c1-7(16)8-3-2-4-15(5-8)10-9(12)11(17)14-6-13-10/h6,8H,2-5H2,1H3,(H,13,14,17)
InChIKeyOQIANMOSRHYHQB-UHFFFAOYSA-N
XLogP1.23
TPSA66.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.70
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-chloro-4-piperidin-1-yl-1H-pyrimidin-6-one
CID 137008987
5-chloro-4-(3-ethoxypiperidin-1-yl)-1H-pyrimidin-6-one
CID 136989959
4-(4-acetyl-1,4-diazepan-1-yl)-5-chloro-1H-pyrimidin-6-one
CID 137009347
5-chloro-4-(3-propoxypiperidin-1-yl)-1H-pyrimidin-6-one
CID 136989957
5-chloro-4-(3-piperidin-1-ylpyrrolidin-1-yl)-1H-pyrimidin-6-one
CID 137009591
1-(5-methoxy-6-oxo-1H-pyrimidin-4-yl)piperidine-3-carboxylic acid
CID 136958326
5-chloro-4-[3-[(propan-2-ylamino)methyl]piperidin-1-yl]-1H-pyrimidin-6-one
CID 136977969
5-chloro-4-[(3R)-3-methylpiperazin-1-yl]-1H-pyrimidin-6-one
CID 136879306
5-chloro-4-[3-(hydroxymethyl)pyrrolidin-1-yl]-1H-pyrimidin-6-one
CID 136979644
5-chloro-4-[3-(methylaminomethyl)pyrrolidin-1-yl]-1H-pyrimidin-6-one
CID 136978058
4-(3-amino-4-methylpiperidin-1-yl)-5-chloro-1H-pyrimidin-6-one
CID 136978257
5-chloro-4-(4-piperidin-1-ylpiperidin-1-yl)-1H-pyrimidin-6-one
CID 137009232

Frequently Asked Questions

What is the IUPAC name of 4-(3-acetylpiperidin-1-yl)-5-chloro-1H-pyrimidin-6-one?
The IUPAC name of 4-(3-acetylpiperidin-1-yl)-5-chloro-1H-pyrimidin-6-one (CID 136973289) is 4-(3-acetylpiperidin-1-yl)-5-chloro-1H-pyrimidin-6-one.
What is the SMILES notation for 4-(3-acetylpiperidin-1-yl)-5-chloro-1H-pyrimidin-6-one?
The canonical SMILES for 4-(3-acetylpiperidin-1-yl)-5-chloro-1H-pyrimidin-6-one is CC(=O)C1CCCN(c2nc[nH]c(=O)c2Cl)C1.
What is the InChIKey of 4-(3-acetylpiperidin-1-yl)-5-chloro-1H-pyrimidin-6-one?
The InChIKey is OQIANMOSRHYHQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClN3O2/c1-7(16)8-3-2-4-15(5-8)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-(3-acetylpiperidin-1-yl)-5-chloro-1H-pyrimidin-6-one?
4-(3-acetylpiperidin-1-yl)-5-chloro-1H-pyrimidin-6-one has a molecular weight of 255.70 g/mol, XLogP of 1.23, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-acetylpiperidin-1-yl)-5-chloro-1H-pyrimidin-6-one is sourced from PubChem (CID 136973289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).