5-acetyl-3-piperidin-1-yl-1H-pyrimidine-2,4-dione

C11H15N3O3 — CID 83024369

IUPAC5-acetyl-3-piperidin-1-yl-1H-pyrimidine-2,4-dione
SMILESCC(=O)c1c[nH]c(=O)n(N2CCCCC2)c1=O
InChIInChI=1S/C11H15N3O3/c1-8(15)9-7-12-11(17)14(10(9)16)13-5-3-2-4-6-13/h7H,2-6H2,1H3,(H,12,17)
InChIKeyXWTJOHSWLMOLEM-UHFFFAOYSA-N
MW237.26 g/mol
LogP-0.14
Rot. Bonds2

About 5-acetyl-3-piperidin-1-yl-1H-pyrimidine-2,4-dione

5-acetyl-3-piperidin-1-yl-1H-pyrimidine-2,4-dione (PubChem CID 83024369) has the molecular formula C11H15N3O3 and a molecular weight of 237.26 g/mol. Its IUPAC name is 5-acetyl-3-piperidin-1-yl-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-acetyl-3-piperidin-1-yl-1H-pyrimidine-2,4-dione
PubChem CID83024369
Molecular FormulaC11H15N3O3
Molecular Weight237.26 g/mol
Exact Mass237.11
IUPAC Name5-acetyl-3-piperidin-1-yl-1H-pyrimidine-2,4-dione
SMILESCC(=O)c1c[nH]c(=O)n(N2CCCCC2)c1=O
InChIInChI=1S/C11H15N3O3/c1-8(15)9-7-12-11(17)14(10(9)16)13-5-3-2-4-6-13/h7H,2-6H2,1H3,(H,12,17)
InChIKeyXWTJOHSWLMOLEM-UHFFFAOYSA-N
XLogP-0.14
TPSA75.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.26
LogP ≤ 5-0.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-acetyl-1-piperidino-2,4(1H,3H)-pyrimidinedione
CID 3778177
Piperidinylthymine
CID 166175013
3-amino-5-(2-methylpropanoyl)-1H-pyrimidine-2,4-dione
CID 174453913
5-acetyl-1-(4-methylpiperazino)-2,4(1H,3H)-pyrimidinedione
CID 1483601
5-acetyl-1-morpholino-2,4(1H,3H)-pyrimidinedione
CID 3369393
5-Acetyl-1-(4-methylpiperazin-4-ium-1-yl)pyrimidine-2,4-dione
CID 6987062
5-acetyl-3-(1-piperidin-1-ylpropan-2-yl)-1H-pyrimidine-2,4-dione
CID 80642777
5-acetyl-3-[(1-methylpiperidin-4-yl)methyl]-1H-pyrimidine-2,4-dione
CID 80642914
5-acetyl-3-(2-piperidin-1-ylethyl)-1H-pyrimidine-2,4-dione
CID 80643126
5-acetyl-3-[(1-methylpiperidin-3-yl)methyl]-1H-pyrimidine-2,4-dione
CID 80643273
5-acetyl-3-(1-methylpiperidin-3-yl)-1H-pyrimidine-2,4-dione
CID 80643417
5-acetyl-3-(1-ethylpiperidin-3-yl)-1H-pyrimidine-2,4-dione
CID 80643419

Frequently Asked Questions

What is the IUPAC name of 5-acetyl-3-piperidin-1-yl-1H-pyrimidine-2,4-dione?
The IUPAC name of 5-acetyl-3-piperidin-1-yl-1H-pyrimidine-2,4-dione (CID 83024369) is 5-acetyl-3-piperidin-1-yl-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 5-acetyl-3-piperidin-1-yl-1H-pyrimidine-2,4-dione?
The canonical SMILES for 5-acetyl-3-piperidin-1-yl-1H-pyrimidine-2,4-dione is CC(=O)c1c[nH]c(=O)n(N2CCCCC2)c1=O.
What is the InChIKey of 5-acetyl-3-piperidin-1-yl-1H-pyrimidine-2,4-dione?
The InChIKey is XWTJOHSWLMOLEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O3/c1-8(15)9-7-12-11(17)14(10(9)16)13-5-3-2-4-6-13/h7H,2-6H2,1H3,(H,12,17).
What are the key properties of 5-acetyl-3-piperidin-1-yl-1H-pyrimidine-2,4-dione?
5-acetyl-3-piperidin-1-yl-1H-pyrimidine-2,4-dione has a molecular weight of 237.26 g/mol, XLogP of -0.14, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-acetyl-3-piperidin-1-yl-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 83024369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).